SCHEMBL7595085

SCHEMBL7595085

NCc1cccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)CN(CCc2ccccc2)C3=O)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.77
ITGA2B P08514 11/20 0.77
ITGAV P06756 2/20 0.51
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL7399925 1.00 ITGB3 (0.77) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7600644 0.94 ITGB3 (0.83) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7393761 0.94 ITGB3 (0.83) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7593946 0.87 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7599947 0.85 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7600109 0.85 ITGB3 (0.65) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7600102 0.85 ITGB3 (0.65) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7593955 0.85 ITGB3 (0.79) ITGB3ITGA2BITGAVSMN1; SMN2ACHE
SCHEMBL7599956 0.83 ITGB3 (0.79) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7395612 0.83 ITGB3 (0.70) ITGB3ITGA2BITGAVHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed