SCHEMBL8516772

SCHEMBL8516772

CC1Cc2cc(C(=O)CNCc3nc4ccc(C(F)(F)F)cc4[nH]3)ccc2NN(CC(=O)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.49
ITGAV P06756 17/20 0.49
ITGA2B P08514 2/20 0.40
F9 P00740 1/20 0.38
IDO1 P14902 1/20 0.37
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL8516789 0.94 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL8516786 0.79 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL7367219 0.78 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL8513153 0.67 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL8468943 0.66 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6946801 0.64 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL6946793 0.62 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL8327050 0.62 PKM (0.55) F9IDO1
SCHEMBL7435527 0.62 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL31253265 0.62 SCN10A (0.49) F9IDO1

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
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed