SCHEMBL7436717

SCHEMBL7436717

C[C@H]1Nc2cc(C(=O)N(C)c3ccc(C(=N)N)cc3)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.81
ITGA2B P08514 18/20 0.81
ITGAV P06756 3/20 0.52
PLAU P00749 1/20 0.43

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
SCHEMBL7439738 1.00 ITGB3 (0.81) ITGB3ITGA2BITGAVPLAU
SCHEMBL7443088 1.00 ITGB3 (0.81) ITGB3ITGA2BITGAVPLAU
Hydrochloric Acid SCHEMBL7661171 0.99 ITGB3 (0.79) ITGB3ITGA2BITGAVPLAU
SCHEMBL6953188 0.89 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7437513 0.89 ITGB3 (0.84) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7659028 0.88 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7666755 0.85 ITGB3 (0.60) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL7435712 0.85 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7436720 0.83 ITGB3 (0.63) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7661177 0.82 ITGB3 (0.62) 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 5 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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
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