SCHEMBL13437101

SCHEMBL13437101

CCCC1CCC(N2CCC(n3c(=O)n(C(C)=O)c4ccccc43)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.50
OPRM1 P35372 9/20 0.50
OPRK1 P41145 1/20 0.50
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3612375 0.83 OPRM1 (0.61) OPRL1OPRM1OPRK1OPRD1
SCHEMBL6580420 0.79 CHRM2 (0.50) OPRL1OPRM1OPRK1OPRD1KCNH2
SCHEMBL4865936 0.78 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL6212768 0.77 HTR4 (0.42) OPRL1OPRM1OPRK1
SCHEMBL3620583 0.76 HTR4 (0.41) OPRL1OPRM1OPRK1
SCHEMBL13437100 0.75 CHRM1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL1865241 0.75 OPRL1 (0.52) OPRL1OPRM1OPRK1
SCHEMBL3617803 0.75 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL1858426 0.74 OPRL1 (0.60) OPRL1OPRM1OPRK1OPRD1
SCHEMBL6577940 0.74 CHRM1 (0.67) OPRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678809-B2 Benzimidazole compounds having nociceptin receptor affinity PURDUE PHARMA L.P. (US) 2010-03-16 US disclosed
US-7678809-B2 Benzimidazole compounds having nociceptin receptor affinity PURDUE PHARMA L.P. (US) 2010-03-16 US disclosed
US-7456198-B2 Useful in the treatment of chronic and acute pain. PURDUE PHARMA L.P. (US) 2008-11-25 US disclosed