SCHEMBL11076240

SCHEMBL11076240

CCC1CCN(C2CCC(c3cccc(O)c3)(N(C)Cc3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
OPRL1 P41146 7/20 0.44
OPRD1 P41143 5/20 0.39
OPRK1 P41145 4/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL11076919 0.89 OPRL1 (0.43) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11079394 0.89 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11070427 0.88 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11081934 0.87 OPRL1 (0.51) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11073740 0.87 OPRL1 (0.41) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11069968 0.87 OPRL1 (0.41) OPRM1OPRL1OPRD1OPRK1HTR7
SCHEMBL11075471 0.85 OPRM1 (0.44) OPRM1OPRL1
SCHEMBL11079138 0.84 DRD3 (0.43) OPRM1OPRL1
SCHEMBL11070091 0.79 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11073241 0.78 OPRL1 (0.49) OPRM1OPRL1OPRK1

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-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed