SCHEMBL14980456

SCHEMBL14980456

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2[C@@H]1CN2C(=O)c1cc(-c2ccccc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 4/20 0.41
PYGL P06737 4/20 0.40
DRD2 P14416 1/20 0.40
STAT6 P42226 1/20 0.39
CCKBR P32239 3/20 0.38
OPRK1 P41145 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CCKAR P32238 1/20 0.37

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
SCHEMBL7933535 0.94 STAT6 (0.43) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL1549871 0.91 CYP51A1 (0.40) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL7941166 0.88 STAT6 (0.43) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL7942838 0.86 STAT6 (0.44) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL19856916 0.84 CYP51A1 (0.40) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL19856914 0.84 CYP51A1 (0.40) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL7941646 0.84 STAT6 (0.45) CYP51A1PYGLDRD2STAT6CCKBR
SCHEMBL19856898 0.84 PYGL (0.43) CYP51A1PYGLDRD2STAT6
SCHEMBL19856896 0.84 PYGL (0.43) CYP51A1PYGLDRD2STAT6
SCHEMBL7941012 0.83 STAT6 (0.47) CYP51A1PYGLDRD2STAT6CCKBR

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-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed