SCHEMBL8540990

SCHEMBL8540990

N=C(N)c1ccc(N2CCCN(CCC(=O)O)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.52
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
ITGB3 P05106 16/20 0.52
ITGA2B P08514 16/20 0.52
S1PR1 P21453 1/20 0.49

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
SCHEMBL7282861 0.96 ITGB3 (0.49) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7280721 0.89 S1PR1 (0.54) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7274316 0.84 ITGB3 (0.61) ITGB3ITGA2BS1PR1
SCHEMBL7283544 0.84 F10 (0.51) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7397288 0.83 ITGB3 (0.53) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7284477 0.82 ITGB3 (0.70) F10F2PRSS1ITGB3ITGA2B
SCHEMBL9052848 0.82 ITGB3 (0.55) ITGB3ITGA2BS1PR1
SCHEMBL7280220 0.81 ITGB3 (0.50) F10F2PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7273435 0.81 ITGB3 (0.49) F10F2PRSS1ITGB3ITGA2B
SCHEMBL7273113 0.80 ITGB3 (0.48) ITGB3ITGA2BS1PR1

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 3 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
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