SCHEMBL11075758

SCHEMBL11075758

CCCCN(C)C1(c2cccc(O)c2)CCC(N(CCC)c2cc(C)cc(C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.43
OPRL1 P41146 2/20 0.43
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.36
MEN1 O00255 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD3 P35462 2/20 0.35
HTR7 P34969 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 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
SCHEMBL11069985 0.97 OPRM1 (0.40) OPRM1OPRL1SLC6A4SLC6A2DRD3
SCHEMBL11066081 0.95 OPRM1 (0.37) OPRM1OPRL1SLC6A4SLC6A2MEN1
SCHEMBL11077371 0.92 OPRM1 (0.37) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11077880 0.91 OPRM1 (0.39) OPRM1OPRL1SLC6A4SLC6A2MEN1
SCHEMBL11073297 0.89 OPRM1 (0.38) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11079684 0.88 OPRM1 (0.37) OPRM1SLC6A4SLC6A2MEN1OPRD1
SCHEMBL11074293 0.82 OPRM1 (0.49) OPRM1OPRL1SLC6A4SLC6A2MEN1
SCHEMBL11069989 0.80 DRD3 (0.35) OPRM1SLC6A4OPRD1OPRK1DRD3
SCHEMBL11081455 0.79 OPRM1 (0.45) OPRM1OPRL1SLC6A4SLC6A2DRD3
SCHEMBL11077378 0.78 OPRM1 (0.36) OPRM1SLC6A4SLC6A2MEN1OPRD1

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