SCHEMBL11069660

SCHEMBL11069660

CCCCCNC1(c2cccc(O)c2)CCC(N(C)CCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.46
OPRK1 P41145 13/20 0.46
OPRD1 P41143 13/20 0.46
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
GRIN2B Q13224 1/20 0.38

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
SCHEMBL11075957 0.82 OPRM1 (0.50) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11069665 0.81 OPRM1 (0.49) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11073158 0.79 OPRM1 (0.50) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11073734 0.79 OPRM1 (0.47) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11076126 0.78 DRD3 (0.37) OPRM1OPRK1OPRD1DRD3
SCHEMBL11068794 0.78 OPRM1 (0.46) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11069989 0.76 DRD3 (0.35) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11069986 0.76 OPRM1 (0.48) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11074291 0.74 OPRM1 (0.39) OPRM1OPRK1OPRD1DRD3
SCHEMBL11074463 0.74 OPRM1 (0.52) OPRM1OPRK1OPRD1DRD2DRD3

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