SCHEMBL11077378

SCHEMBL11077378

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.36
SLC6A4 P31645 9/20 0.36
SLC6A2 P23975 7/20 0.36
OPRK1 P41145 3/20 0.36
MEN1 O00255 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11069989 0.83 DRD3 (0.35) OPRM1SLC6A4OPRK1OPRD1
SCHEMBL11077880 0.82 OPRM1 (0.39) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11066081 0.81 OPRM1 (0.37) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11077371 0.80 OPRM1 (0.37) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11075758 0.78 OPRM1 (0.43) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11079389 0.78 OPRM1 (0.38) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11073297 0.77 OPRM1 (0.38) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11069985 0.77 OPRM1 (0.40) OPRM1SLC6A4SLC6A2
SCHEMBL11079684 0.76 OPRM1 (0.37) OPRM1SLC6A4SLC6A2OPRK1MEN1
SCHEMBL11069877 0.72 OPRM1 (0.35) OPRM1SLC6A4SLC6A2OPRK1MEN1

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