SCHEMBL8053460

SCHEMBL8053460

Cc1cccc(N2CCCCC2C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.53
KMT2A Q03164 2/20 0.49
HRH3 Q9Y5N1 2/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ADRB1 P08588 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16378121 0.95 KMT2A (0.54) GFERKMT2AHRH3TSHRMAPT
SCHEMBL13060129 0.95 KMT2A (0.54) GFERKMT2AHRH3TSHRMAPT
SCHEMBL27900836 0.82 OPRM1 (0.48) GFERMAPTMAOAMAOB
SCHEMBL7075696 0.80 MAOA (0.60) KMT2ATSHRMAPTTP53LMNA
SCHEMBL26326850 0.79 MAOA (0.51) GFERKMT2AHRH3MAPTTP53
SCHEMBL26326852 0.79 MAOA (0.51) GFERKMT2AHRH3MAPTTP53
SCHEMBL27980876 0.78 MAOA (0.46) GFERLMNASMN1; SMN2MAOAMAOB
SCHEMBL3184950 0.78 FFAR1 (0.46) GFERKMT2ATSHRMAPTNPSR1
SCHEMBL6502072 0.77 NOTUM (0.53) GFERKMT2AMAPTTP53SMN1; SMN2
SCHEMBL24522282 0.77 PDK2 (0.44) GFERKMT2AHRH3LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed
US-6143288-A USING BORNEOL, OR RACEMIC MIXTURE THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-11-07 US disclosed
EP-1042953-A2 Use of acyclic and carbocylic ketones, alcohols, aldehydes, nitriles and esters for repelling or attracting insects INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-10-11 EP disclosed
US-5855903-A WASHING CLOTHES WITH REPELLENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1999-01-05 US disclosed
EP-0629344-B1 Acyclic and carbocyclic ketones, alcohols, aldehydes nitriles and esters and uses thereof for their insect repellency and attractancy properties INT FLAVORS & FRAGRANCES INC (US) 1998-10-28 EP disclosed
US-5785982-A INSECT REPELLENT SOAPS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-07-28 US disclosed
EP-0815728-A2 Acyclic and carbocyclic ketones, alcohols, aldehydes, nitriles and esters and uses thereof for their insect repellency properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-01-07 EP disclosed
US-5665781-A Use of unsaturated aldehyde and alkanol derivatives for their mosquito repellency properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-09-09 US disclosed
US-5635173-A EXPOSING THE ENVIRONMENT SURROUNDING THE TRAP TO AN INSECT ATTRACTANT CONTAINING A MIXTURE OF BIODEGRADABLE POLYCAPROLACTONE OR POLYURETHANE AND D-LIMONENE INTERNATIONAL FLAVORS & FRAGRANCES (US) 1997-06-03 US disclosed
US-5635174-A USING JASMINE ABSOLUTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1997-06-03 US disclosed
EP-0660667-A1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME. INT FLAVORS & FRAGRANCES INC (US) 1995-07-05 EP disclosed
US-5401500-A House flies attracted with benzoin group and dimethyl benzyl carbinyl acetate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-03-28 US disclosed
EP-0629344-A2 Acyclic and carbocyclic ketones, alcohols, aldehydes nitriles and esters and uses thereof for their insect repellency and attractancy properties INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-12-21 EP disclosed
US-5354783-A Method for repelling Aedes aegyptae using carbocyclic ketones, and aldehyde in admixture INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-10-11 US disclosed
WO-1994006295-A1 INSECT REPELLENT COMPOSITIONS AND METHODS FOR USING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-03-31 WO disclosed
US-5250575-A Exposure to concentration in detergent or candle INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-10-05 US disclosed
US-5175175-A Mixture of 1-octen-4-ol and Schiff base INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-12-29 US disclosed
US-5165926-A Mosquitoes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-11-24 US disclosed
US-5118711-A Ketone, ketoesters and alcohol in repelling insects; use of aliphatic ester in attracting insects and process and apparatus for determination of insect repellency and attractancy INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-06-02 US disclosed
US-5091423-A Using a damascone compound INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) 1992-02-25 US disclosed