SCHEMBL7401407

SCHEMBL7401407

N=C(N)c1ccc(N2CCN(CC(=O)O)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.50
ITGA2B P08514 16/20 0.50
F10 P00742 2/20 0.50
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
ALOX15 P16050 1/20 0.47
HDAC1 Q13547 1/20 0.47

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 SCHEMBL7404001 0.99 F10 (0.51) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7284365 0.96 ITGB3 (0.47) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7283544 0.89 F10 (0.51) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7405707 0.84 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7397069 0.84 ITGB3 (0.49) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7280721 0.83 S1PR1 (0.54) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7274316 0.83 ITGB3 (0.61) ITGB3ITGA2BHDAC1
SCHEMBL7395840 0.83 ITGB3 (0.50) ITGB3ITGA2B
Methane SCHEMBL9145941 0.83 ITGB3 (0.48) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7275468 0.81 ITGB3 (0.53) ITGB3ITGA2BF10F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0825994-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036639-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed