SCHEMBL10270568

SCHEMBL10270568

CNC(=O)[C@]1(O)CC[C@H](C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.42
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
OPRM1 P35372 2/20 0.31

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
SCHEMBL10270565 0.83 ALDH1A1 (0.33) OPRL1ROCK2ROCK1OPRM1
SCHEMBL15199090 0.78 CYP2C9 (0.34)
SCHEMBL8070148 0.78 OPRL1 (0.31) OPRL1ROCK2ROCK1
SCHEMBL23903956 0.78 OPRL1 (0.34) OPRL1ROCK2ROCK1OPRM1
SCHEMBL15199091 0.78 CYP2C9 (0.34)
SCHEMBL13451458 0.76
SCHEMBL14652117 0.74 KDM5A (0.38) OPRL1ROCK2ROCK1OPRM1
SCHEMBL17029398 0.73 POLB (0.33)
SCHEMBL16015291 0.70 SMN1; SMN2 (0.41)
SCHEMBL14671061 0.68 CHRNB2 (0.33) OPRL1ROCK2ROCK1

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
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO disclosed