SCHEMBL8562755

SCHEMBL8562755

COc1ccc2c(c1)C(C(=O)N1CCCCC1CN1CCCC1)CC2=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
OPRK1 P41145 1/20 0.46
CCR3 P51677 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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 SCHEMBL8559442 0.99 HRH3 (0.52) HRH3OPRK1CCR3SIGMAR1DRD2
SCHEMBL8565697 0.92 HRH3 (0.54) HRH3OPRK1CCR3
SCHEMBL8557172 0.86 OPRK1 (0.44) HRH3OPRK1SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL8564501 0.85 OPRK1 (0.43) HRH3OPRK1SIGMAR1DRD2HTR2A
SCHEMBL8565619 0.85 OPRK1 (0.49) OPRK1SIGMAR1
SCHEMBL8563089 0.84 OPRK1 (0.63) HRH3OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL8565921 0.84 OPRK1 (0.48) OPRK1SIGMAR1
SCHEMBL8559237 0.82 OPRK1 (0.52) HRH3OPRK1
SCHEMBL8559450 0.81 OPRK1 (0.51) HRH3OPRK1
Hydrochloric Acid SCHEMBL8558023 0.81 OPRK1 (0.51) HRH3OPRK1SIGMAR1

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 6 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