SCHEMBL7942670

SCHEMBL7942670

COc1cc(C)ccc1C(=O)N1CCCC2[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.43
PDE4B Q07343 1/20 0.39
AKR1C3 P42330 1/20 0.38
CYP51A1 Q16850 1/20 0.38
DRD4 P21917 5/20 0.37
DRD3 P35462 5/20 0.37
HTR1A P08908 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
DRD2 P14416 4/20 0.37
HTR2A P28223 1/20 0.37
CCKBR P32239 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
FKBP1A P62942 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL7942667 0.89 STAT6 (0.44) STAT6AKR1C3CYP51A1DRD2CCKBR
SCHEMBL7945427 0.87 STAT6 (0.45) STAT6AKR1C3CYP51A1HCRTR1DRD2
SCHEMBL14980442 0.87 STAT6 (0.48) STAT6AKR1C3CYP51A1DRD2CCKBR
SCHEMBL7934440 0.87 STAT6 (0.48) STAT6AKR1C3CYP51A1DRD2CCKBR
SCHEMBL19856980 0.86 DRD2 (0.39) STAT6PDE4BAKR1C3CYP51A1DRD4
SCHEMBL19856978 0.86 DRD2 (0.39) STAT6PDE4BAKR1C3CYP51A1DRD4
SCHEMBL7941165 0.86 STAT6 (0.46) STAT6PDE4BAKR1C3CYP51A1DRD3
SCHEMBL7943634 0.85 STAT6 (0.48) STAT6AKR1C3CYP51A1DRD3HTR1A
SCHEMBL7945428 0.85 STAT6 (0.44) STAT6CYP51A1DRD3DRD2CCKBR
SCHEMBL7941646 0.85 STAT6 (0.45) STAT6AKR1C3CYP51A1DRD2CCKBR

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