SCHEMBL10367904

SCHEMBL10367904

C=CC(C)(C)N(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc2sc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.40
▸ OPRK1 P41145 5/20 0.40
▸ CCR2 P41597 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL10368909 0.81 OPRM1 (0.41) OPRM1OPRK1CCR2SIGMAR1
SCHEMBL10366530 0.81 OPRM1 (0.48) OPRM1OPRK1CCR2
SCHEMBL10368353 0.75 OPRM1 (0.69) OPRM1OPRK1SIGMAR1
SCHEMBL10367901 0.73 OPRM1 (0.48) OPRM1OPRK1
SCHEMBL10367902 0.73 OPRM1 (0.48) OPRM1OPRK1
SCHEMBL10366106 0.71 OPRM1 (0.62) OPRM1OPRK1
SCHEMBL10366107 0.71 OPRM1 (0.62) OPRM1OPRK1
Hydrochloric Acid SCHEMBL10683355 0.70 OPRM1 (0.64) OPRM1OPRK1
SCHEMBL11531115 0.67 SIGMAR1 (0.55) SIGMAR1
SCHEMBL10368728 0.66 OPRM1 (0.58) OPRM1OPRK1

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
EP-0147085-B1 SUBSTITUTED TRANS-1.2-DIAMINOCYCLOHEXYL AMIDE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1990-03-14 — — EP disclosed
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