SCHEMBL8557172

SCHEMBL8557172

COc1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCC1)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE5A O76074 1/20 0.35
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL8564501 0.99 OPRK1 (0.43) OPRK1HRH3LMNAGAASIGMAR1
SCHEMBL8566852 0.93 HRH3 (0.42) OPRK1HRH3HTR2AHTR2CDRD2
SCHEMBL8560273 0.87 OPRK1 (0.46) OPRK1
SCHEMBL8563053 0.87 OPRK1 (0.45) OPRK1MEN1KMT2A
SCHEMBL8562755 0.86 HRH3 (0.53) OPRK1HRH3LMNAGAASIGMAR1
Hydrochloric Acid SCHEMBL8559442 0.85 HRH3 (0.52) OPRK1HRH3SIGMAR1HTR2AHTR2C
SCHEMBL8560543 0.85 OPRK1 (0.59) OPRK1HRH3
SCHEMBL8561066 0.85 OPRK1 (0.44) OPRK1HRH3ALDH1A1MEN1KMT2A
SCHEMBL8564004 0.85 OPRK1 (0.58) OPRK1HRH3
SCHEMBL8560990 0.84 OPRK1 (0.43) OPRK1GAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed