SCHEMBL8566386

SCHEMBL8566386

C1CC[C@H](CN2CCCC2)NC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
HTR2A P28223 3/20 0.51
KCNH2 Q12809 3/20 0.51
HTR1D P28221 2/20 0.51
HRH1 P35367 2/20 0.51
ADRA1B P35368 2/20 0.51
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CHRM5 P08912 2/20 0.46
ADRA2C P18825 2/20 0.46
CYP2D6 P10635 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MLNR O43193 1/20 0.42

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
SCHEMBL1994507 1.00 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1994505 1.00 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL4382179 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326683 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1232420 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL8563154 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1997768 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL8561237 0.96 HTR1A (0.49) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10264864 0.96 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL16716869 0.93 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 EP disclosed
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-RE33906-E Cyclic carboxamide derivatives and their use as analgesics DR.LO.ZAMBELETTI S.P.A. (IT) 1992-04-28 US disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0232612-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS Dr. Lo. Zambeletti S.p.A. (IT) 1990-04-04 EP disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed
US-4826819-A Piperidine analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1989-05-02 US disclosed
US-4801585-A Cyclic carboxamide derivatives and their use as analgesics DR.LO.ZAMBELETTI S.P.A. (IT) 1989-01-31 US disclosed
EP-0260041-A1 1-Acyl-substituted piperidine derivatives Dr. Lo. Zambeletti S.p.A. (IT) 1988-03-16 EP disclosed
EP-0232612-A1 Azacyclic compounds, processes for their preparation, and their use as pharmaceuticals Dr. Lo. Zambeletti S.p.A. (IT) 1987-08-19 EP disclosed