SCHEMBL11074113

SCHEMBL11074113

C=CCN(CCC)C1CCC(c2cccc(O)c2)(N(C)Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.42
OPRL1 P41146 5/20 0.42
OPRK1 P41145 6/20 0.39
OPRD1 P41143 5/20 0.39
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
DRD4 P21917 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
SCHEMBL11073770 0.90 OPRM1 (0.37) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11079387 0.89 OPRM1 (0.37) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11081052 0.87 OPRM1 (0.38) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL11076119 0.87 OPRM1 (0.40) OPRM1OPRL1DRD3
SCHEMBL11065461 0.83 OPRM1 (0.37) OPRM1OPRK1OPRD1
SCHEMBL11069986 0.81 OPRM1 (0.48) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL11070091 0.81 OPRM1 (0.50) OPRM1OPRL1OPRK1OPRD1
SCHEMBL11076041 0.79 BCHE (0.44) OPRM1OPRL1
SCHEMBL11065457 0.79 OPRM1 (0.36) OPRM1OPRK1OPRD1
SCHEMBL11073734 0.78 OPRM1 (0.47) 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