SCHEMBL2640155

SCHEMBL2640155

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.43
DRD2 P14416 1/20 0.41
CYP51A1 Q16850 3/20 0.40
PYGL P06737 3/20 0.40
HRH4 Q9H3N8 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
AKR1C3 P42330 2/20 0.37
EGFR P00533 2/20 0.37
PIK3CA P42336 2/20 0.37
CCKBR P32239 3/20 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
SCHEMBL1931683 0.92 DRD2 (0.47) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1931303 0.92 DRD2 (0.47) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1931738 0.92 DRD2 (0.47) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1549626 0.92 PYGL (0.43) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856920 0.92 PYGL (0.43) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1550025 0.90 PYGL (0.48) DRD2CYP51A1PYGLHRH4EGFR
SCHEMBL1549547 0.90 PDGFRB (0.46) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856894 0.90 DRD2 (0.45) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856892 0.90 DRD2 (0.45) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1550160 0.89 FLT3 (0.45) STAT6DRD2CYP51A1PYGLHRH4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP claimed
JP-2011529082-A 2011-12-01 JP claimed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO claimed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed