SCHEMBL11079387

SCHEMBL11079387

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.95 OPRM1 (0.37) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11076119 0.91 OPRM1 (0.40) OPRM1SLC6A4DRD3
SCHEMBL11081052 0.91 OPRM1 (0.38) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11074113 0.89 OPRM1 (0.42) OPRM1OPRD1OPRK1DRD2DRD3
SCHEMBL11065461 0.88 OPRM1 (0.37) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11065457 0.83 OPRM1 (0.36) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11075993 0.80 OPRM1 (0.43) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11079389 0.80 OPRM1 (0.38) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11076285 0.79 OPRM1 (0.41) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11076126 0.77 DRD3 (0.37) OPRM1SLC6A4OPRD1OPRK1DRD3

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