SCHEMBL7999940

SCHEMBL7999940

CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.70
AGTR1 P30556 5/20 0.61
AGTR2 P50052 4/20 0.61
DRD2 P14416 2/20 0.60
TBXA2R P21731 2/20 0.60
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
TLR7 Q9NYK1 1/20 0.51

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
SCHEMBL7987035 0.92 PPARG (0.70) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL7986953 0.91 PPARG (0.69) PPARGAGTR1AGTR2
SCHEMBL7987032 0.90 PPARG (0.79) PPARGAGTR1AGTR2
SCHEMBL9201172 0.86 DRD2 (0.78) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL8000001 0.83 PPARG (0.69) PPARGAGTR1AGTR2
SCHEMBL6168561 0.82 AGTR1 (0.76) PPARGAGTR1AGTR2
SCHEMBL7996204 0.81 PPARG (0.79) PPARGAGTR1AGTR2
SCHEMBL6170958 0.81 AGTR1 (0.62) PPARGAGTR1AGTR2
SCHEMBL9275378 0.80 AGTR1 (0.78) PPARGAGTR1AGTR2DRD2TBXA2R
SCHEMBL7673045 0.80 AGTR1 (0.60) AGTR1AGTR2DRD2TBXA2RTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288100-B1 SUCH AS PHENYL-(2-PROPYL-1H-BENZIMIDAZOL-5-YL)-METHANONE USEFUL AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION 2001-09-11 US disclosed
EP-0830343-A1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP disclosed
WO-1996039390-A1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 WO disclosed