SCHEMBL5199690

SCHEMBL5199690

Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3cccnc3C(C)(C)O)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.43
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
MTOR P42345 1/20 0.33

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
SCHEMBL5198212 0.84 TGFBR1 (0.41) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5198303 0.83 TGFBR1 (0.40) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5198402 0.83 TGFBR1 (0.43) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5199982 0.81 TGFBR1 (0.39) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5199237 0.80 TGFBR1 (0.39) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5198453 0.80 TGFBR1 (0.39) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5201354 0.79 TGFBR1 (0.46) TGFBR1
SCHEMBL5492614 0.78 TGFBR1 (0.58) TGFBR1
SCHEMBL5199536 0.77 TGFBR1 (0.38) TGFBR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5199509 0.77 TGFBR1 (0.38) TGFBR1GABRA1GABRG2GABRB3GABRA5

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
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed