SCHEMBL7966918

SCHEMBL7966918

CSCCC(N)C(=O)Nc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.46
OPRK1 P41145 13/20 0.46
OPRL1 P41146 12/20 0.46
OPRD1 P41143 10/20 0.46
OGFRL1 Q5TC84 7/20 0.46
ALK Q9UM73 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR5 P51681 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL7093797 1.00 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7095436 0.89 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7092529 0.87 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7096860 0.87 OPRM1 (0.52) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7093758 0.87 OPRM1 (0.52) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7095335 0.85 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7094992 0.85 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7095220 0.85 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7095474 0.84 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1OGFRL1
SCHEMBL7093844 0.82 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172067-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-01-09 US disclosed