SCHEMBL20243185

SCHEMBL20243185

CC(=O)NC(CCCCB1OC(C)(C)C(C)(C)O1)(CCN1Cc2ccccc2C[C@H]1CO)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL10207144 1.00 BCL2 (0.31) BCL2OPRM1OPRD1ROCK1
SCHEMBL895538 0.84 DRD2 (0.32)
SCHEMBL895541 0.84 DRD2 (0.32)
SCHEMBL895540 0.84 DRD2 (0.32)
SCHEMBL895357 0.79 OPRM1 (0.33) OPRM1OPRD1
SCHEMBL895373 0.74 OPRD1 (0.40) OPRM1OPRD1
SCHEMBL20243398 0.70
SCHEMBL10207152 0.69 THRB (0.32)
SCHEMBL896033 0.69 PNMT (0.31)
SCHEMBL10207328 0.68

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-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed