SCHEMBL7495757

SCHEMBL7495757

CNCCn1c(=O)n(C2CCN(C3(c4ccccc4)CCCCCC3)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.48
OPRM1 P35372 10/20 0.48
SLC6A2 P23975 4/20 0.45
OPRK1 P41145 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
SLC6A4 P31645 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP2B6 P20813 1/20 0.43
PRCP P42785 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN1 Q05586 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL7492753 0.88 OPRL1 (0.48) OPRL1OPRM1OPRK1CACNA1GCACNA1H
SCHEMBL7492029 0.88 OPRL1 (0.44) OPRL1OPRM1SLC6A2OPRK1CACNA1G
SCHEMBL7489304 0.87 CACNA1G (0.51) OPRL1OPRM1SLC6A2OPRK1CACNA1G
SCHEMBL7489124 0.86 CACNA1G (0.47) OPRL1OPRM1SLC6A2OPRK1CACNA1G
SCHEMBL7493212 0.86 CYP2D6 (0.49) OPRL1OPRM1SLC6A2OPRK1CACNA1G
SCHEMBL7487456 0.85 CACNA1G (0.42) OPRL1OPRM1SLC6A2OPRK1CACNA1G
SCHEMBL6834480 0.85 CACNA1G (0.52) OPRL1OPRM1SLC6A2OPRK1CACNA1G
Hydrochloric Acid SCHEMBL7490044 0.85 OPRM1 (0.47) OPRL1OPRM1SLC6A2OPRK1CACNA1G
Hydrochloric Acid SCHEMBL7488802 0.85 OPRL1 (0.47) OPRL1OPRM1CACNA1GCACNA1H
Hydrochloric Acid SCHEMBL7487124 0.85 OPRL1 (0.43) OPRL1OPRM1SLC6A2OPRK1CACNA1G

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 EP disclosed