SCHEMBL11508448

SCHEMBL11508448

C=CCN1CCCC1c1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.43
▸ OPRM1 P35372 7/20 0.43
▸ OPRD1 P41143 6/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MEN1 O00255 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
SCHEMBL11511005 0.90 OPRK1 (0.54) OPRK1OPRM1ALDH1A1HRH3MEN1
SCHEMBL11510131 0.88 CHRNB2 (0.42) OPRK1OPRM1FFAR1MAPTMEN1
SCHEMBL11509371 0.87 OPRM1 (0.43) OPRK1OPRM1OPRD1FFAR1ALDH1A1
SCHEMBL11511487 0.83 OPRK1 (0.46) OPRK1OPRM1OPRD1FFAR1ALDH1A1
SCHEMBL11510687 0.80 OPRK1 (0.47) OPRK1OPRM1OPRD1FFAR1ALDH1A1
SCHEMBL11510335 0.79 FFAR1 (0.54) OPRK1OPRM1OPRD1FFAR1MEN1
SCHEMBL3572634 0.77 DRD2 (0.41) —
SCHEMBL3567045 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL11510979 0.77 PARP14 (0.40) OPRK1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL11511351 0.76 CHRNB2 (0.57) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161529-A Phenoxy phenyl pyrrolidine compounds, compositions and methods of use SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-07-17 — — US disclosed
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