SCHEMBL7941165

SCHEMBL7941165

COc1ccc(C(=O)N2CCCC3[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.46
DRD3 P35462 3/20 0.41
CYP51A1 Q16850 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
FLT3 P36888 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.38
ELANE P08246 1/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX15 P16050 1/20 0.37
DRD2 P14416 2/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL7945428 0.92 STAT6 (0.44) STAT6DRD3CYP51A1ALOX15DRD2
SCHEMBL7941646 0.90 STAT6 (0.45) STAT6CYP51A1AKR1C3DRD2
SCHEMBL7941166 0.89 STAT6 (0.43) STAT6CYP51A1ELANEALOX15DRD2
SCHEMBL7943634 0.89 STAT6 (0.48) STAT6DRD3CYP51A1NPC1RAB9A
SCHEMBL7941012 0.88 STAT6 (0.47) STAT6DRD3CYP51A1FLT3AKR1C3
SCHEMBL7942838 0.87 STAT6 (0.44) STAT6DRD3CYP51A1ALOX15DRD2
SCHEMBL19856974 0.87 NPC1 (0.42) STAT6DRD3CYP51A1NPC1RAB9A
SCHEMBL7942670 0.86 STAT6 (0.43) STAT6DRD3CYP51A1AKR1C3DRD2
SCHEMBL14980442 0.86 STAT6 (0.48) STAT6CYP51A1AKR1C3DRD2
SCHEMBL7934440 0.86 STAT6 (0.48) STAT6CYP51A1AKR1C3DRD2

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-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed