SCHEMBL8557796

SCHEMBL8557796

CC(C)c1ccc2c(c1)C(=O)CC2C(=O)N1CCSCC1CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL8561389 0.99 OPRK1 (0.38) OPRK1ALDH1A1KDM4EBCHEACHE
SCHEMBL8561066 0.93 OPRK1 (0.44) OPRK1ALDH1A1KDM4EBCHEACHE
SCHEMBL8560990 0.92 OPRK1 (0.43) OPRK1ALDH1A1KDM4EBCHEACHE
SCHEMBL8560560 0.91 KDM4E (0.38) OPRK1ALDH1A1KDM4EBCHEACHE
SCHEMBL8561543 0.87 OPRK1 (0.40) OPRK1MAPTHRH3
SCHEMBL8566739 0.87 OPRK1 (0.39) OPRK1MAPTHRH3
Hydrochloric Acid SCHEMBL8556863 0.87 OPRK1 (0.39) OPRK1MAPTHRH3
SCHEMBL8834703 0.85 OPRK1 (0.50) OPRK1CYP3A4HRH3
SCHEMBL8565207 0.85 OPRK1 (0.50) OPRK1CYP3A4HRH3
SCHEMBL8566852 0.85 HRH3 (0.42) OPRK1ALDH1A1HRH3MEN1KMT2A

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