SCHEMBL8564129

SCHEMBL8564129

O=C1CC(C(=O)N2CCCCC2CN2CCCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
OPRK1 P41145 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRD1 P41143 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 SCHEMBL8561993 0.99 POLB (0.42) POLBALDH1A1LMNAOPRK1HRH3
SCHEMBL8561415 0.83 HRH3 (0.43) OPRK1HRH3NPC1CYP1A2CYP3A4
SCHEMBL8564805 0.83 OPRK1 (0.53) OPRK1HRH3NPC1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8565873 0.82 OPRK1 (0.52) OPRK1HRH3NPC1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8557411 0.82 OPRK1 (0.43) OPRK1HRH3NPC1CYP1A2CYP3A4
SCHEMBL8565697 0.81 HRH3 (0.54) OPRK1HRH3NPC1
SCHEMBL8559237 0.81 OPRK1 (0.52) OPRK1HRH3
Hydrochloric Acid SCHEMBL8558023 0.80 OPRK1 (0.51) OPRK1HRH3
SCHEMBL8559450 0.80 OPRK1 (0.51) OPRK1HRH3
SCHEMBL8562552 0.79 OPRK1 (0.52) OPRK1HRH3NPC1CYP1A2CYP3A4

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