SCHEMBL6865185

SCHEMBL6865185

N#Cc1cccc(CN2CCN(CC(N)=O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
ADRA1D P25100 1/20 0.50
JAK2 O60674 2/20 0.49
JAK3 P52333 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
CHRM3 P20309 2/20 0.48
CCR3 P51677 1/20 0.48
JAK1 P23458 1/20 0.48
RORC P51449 1/20 0.47
GPR6 P46095 2/20 0.46
MLNR O43193 1/20 0.45

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
SCHEMBL20804353 0.85 FAAH (0.63) FAAHCHRM3
SCHEMBL28024099 0.85 FAAH (0.63) FAAHCHRM3
SCHEMBL6863152 0.84 FAAH (0.61) FAAHCHRM3CCR3RORCGPR6
SCHEMBL2926678 0.82 FAAH (0.72) FAAHCHRM3CCR3RORCGPR6
SCHEMBL17683623 0.81 FAAH (0.56) FAAHCHRM3
SCHEMBL6698553 0.80 FAAH (0.54) FAAHCHRM3RORC
SCHEMBL6694937 0.80 ITGB3 (0.56) FAAHCHRM3
SCHEMBL13149750 0.80 FAAH (0.65) FAAHCHRM3CCR3RORCGPR6
SCHEMBL6864289 0.80 FAAH (0.59) FAAHCCR3GPR6
Hydrochloric Acid SCHEMBL9049146 0.80 FAAH (0.58) FAAHCCR3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed