SCHEMBL11076119

SCHEMBL11076119

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRL1 P41146 2/20 0.40
DRD3 P35462 1/20 0.38
SLC6A4 P31645 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
SCHEMBL11073770 0.94 OPRM1 (0.37) OPRM1DRD3SLC6A4
SCHEMBL11079387 0.91 OPRM1 (0.37) OPRM1DRD3SLC6A4
SCHEMBL11081052 0.88 OPRM1 (0.38) OPRM1DRD3SLC6A4
SCHEMBL11065461 0.87 OPRM1 (0.37) OPRM1SLC6A4
SCHEMBL11074113 0.87 OPRM1 (0.42) OPRM1OPRL1DRD3
SCHEMBL11081455 0.82 OPRM1 (0.45) OPRM1OPRL1DRD3SLC6A4
SCHEMBL11076126 0.81 DRD3 (0.37) OPRM1DRD3SLC6A4
SCHEMBL11065457 0.81 OPRM1 (0.36) OPRM1SLC6A4
SCHEMBL11075957 0.79 OPRM1 (0.50) OPRM1OPRL1DRD3
SCHEMBL11074293 0.79 OPRM1 (0.49) OPRM1OPRL1DRD3SLC6A4

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