SCHEMBL10368353

SCHEMBL10368353

Cc1cc2c(CC(=O)NC3CCCCC3N3CCCC3)cccc2s1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.69
▸ OPRK1 P41145 7/20 0.69
▸ SIGMAR1 Q99720 3/20 0.49

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
SCHEMBL10366530 0.85 OPRM1 (0.48) OPRM1OPRK1
SCHEMBL8678608 0.83 OPRM1 (0.98) OPRM1OPRK1SIGMAR1
SCHEMBL10368802 0.79 OPRM1 (0.57) OPRM1OPRK1SIGMAR1
SCHEMBL5142329 0.79 OPRM1 (0.61) OPRM1OPRK1SIGMAR1
SCHEMBL10368909 0.76 OPRM1 (0.41) OPRM1OPRK1SIGMAR1
SCHEMBL10367904 0.75 OPRM1 (0.40) OPRM1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL10366782 0.72 SIGMAR1 (0.53) OPRM1OPRK1SIGMAR1
SCHEMBL9516955 0.71 SIGMAR1 (0.67) OPRM1OPRK1SIGMAR1
SCHEMBL10366240 0.70 SIGMAR1 (0.56) OPRM1OPRK1SIGMAR1
SCHEMBL10189797 0.68 OPRM1 (0.51) OPRM1OPRK1SIGMAR1

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 claimed
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