SCHEMBL7436720

SCHEMBL7436720

C[C@@H]1Nc2cc(C(=O)NCc3ccc(C(=N)N)cc3)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.63
ITGA2B P08514 14/20 0.63
ITGAV P06756 3/20 0.56
KLKB1 P03952 3/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
Hydrochloric Acid SCHEMBL7661177 0.99 ITGB3 (0.62) ITGB3ITGA2BITGAVKLKB1F2
SCHEMBL7657217 0.88 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6953183 0.88 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL7442201 0.88 ITGB3 (0.81) ITGB3ITGA2BITGAV
SCHEMBL7437502 0.88 ITGB3 (0.67) ITGB3ITGA2BITGAVF2
Hydrochloric Acid SCHEMBL7659030 0.87 ITGB3 (0.66) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7659024 0.87 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7445083 0.86 ITGB3 (0.48) ITGB3ITGA2BITGAVALDH1A1
Trifluoroacetic Acid SCHEMBL7435706 0.84 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7439738 0.83 ITGB3 (0.81) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP claimed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO claimed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed