SCHEMBL8560990

SCHEMBL8560990

CC(C)c1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCCCC1)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.43
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8561066 0.99 OPRK1 (0.44) OPRK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8561389 0.93 OPRK1 (0.38) OPRK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8560012 0.92 OPRK1 (0.37) OPRK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8557796 0.92 OPRK1 (0.38) OPRK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8563053 0.88 OPRK1 (0.45) OPRK1MEN1KMT2A
SCHEMBL8560273 0.87 OPRK1 (0.46) OPRK1
SCHEMBL8564004 0.86 OPRK1 (0.58) OPRK1
SCHEMBL8560543 0.85 OPRK1 (0.59) OPRK1
SCHEMBL8560560 0.84 KDM4E (0.38) OPRK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8557172 0.84 OPRK1 (0.44) OPRK1KDM4EALDH1A1MEN1KMT2A

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