SCHEMBL8563983

SCHEMBL8563983

CN1CCN(C(=O)C2CC(=O)c3ccccc32)C(CN2CCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.48
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 5/20 0.38
HRH3 Q9Y5N1 3/20 0.37
GLS O94925 1/20 0.37
METAP1 P53582 2/20 0.37
KCNH2 Q12809 1/20 0.36

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 SCHEMBL8559880 0.99 OPRK1 (0.48) OPRK1ACHEMEN1KMT2AL3MBTL1
SCHEMBL8559421 0.89 OPRK1 (0.41) OPRK1HRH3KCNH2
SCHEMBL8562812 0.86 OPRK1 (0.40) OPRK1
Hydrochloric Acid SCHEMBL8560547 0.85 OPRK1 (0.40) OPRK1
SCHEMBL8560278 0.85 OPRK1 (0.50) OPRK1HRH3
SCHEMBL8559237 0.84 OPRK1 (0.52) OPRK1HRH3KCNH2
Hydrochloric Acid SCHEMBL8558023 0.83 OPRK1 (0.51) OPRK1HRH3KCNH2
SCHEMBL8559450 0.83 OPRK1 (0.51) OPRK1HRH3KCNH2
SCHEMBL8561505 0.83 OPRK1 (0.45) OPRK1HRH3
Hydrochloric Acid SCHEMBL8559015 0.82 OPRK1 (0.44) OPRK1HRH3

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