SCHEMBL11066081

SCHEMBL11066081

CCCN(c1cc(C)cc(C)c1)C1CCC(c2cccc(O)c2)(N(C)CCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A2 P23975 5/20 0.37
MEN1 O00255 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRL1 P41146 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL11075758 0.95 OPRM1 (0.43) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11077371 0.95 OPRM1 (0.37) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11069985 0.94 OPRM1 (0.40) OPRM1SLC6A4SLC6A2OPRL1
SCHEMBL11077880 0.94 OPRM1 (0.39) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11073297 0.92 OPRM1 (0.38) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11079684 0.91 OPRM1 (0.37) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11076285 0.82 OPRM1 (0.41) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11077378 0.81 OPRM1 (0.36) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11073341 0.79 OPRM1 (0.41) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11069989 0.78 DRD3 (0.35) OPRM1SLC6A4OPRD1OPRK1

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