SCHEMBL11079772

SCHEMBL11079772

CC(C)NC1(c2cccc(O)c2)CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.47
OPRK1 P41145 10/20 0.45
OPRM1 P35372 7/20 0.42

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
SCHEMBL11076924 0.85 OPRK1 (0.43) OPRD1OPRK1OPRM1
SCHEMBL11070502 0.80 OPRM1 (0.42) OPRD1OPRK1OPRM1
SCHEMBL11079594 0.78 DRD3 (0.44) OPRD1OPRM1
SCHEMBL11077290 0.78 OPRD1 (0.55) OPRD1OPRK1OPRM1
SCHEMBL11075273 0.76 OPRL1 (0.44) OPRD1OPRK1OPRM1
SCHEMBL11079767 0.74 OPRD1 (0.49) OPRD1OPRK1OPRM1
SCHEMBL11066674 0.72 OPRD1 (0.47) OPRD1OPRK1OPRM1
SCHEMBL11076003 0.72 OPRD1 (0.47) OPRD1OPRM1
SCHEMBL11075277 0.70 OPRL1 (0.43) OPRD1OPRK1OPRM1
SCHEMBL11076056 0.70 OPRD1 (0.45) OPRD1OPRM1

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