SCHEMBL9052848

SCHEMBL9052848

N=C(N)c1ccc(N2CCN(CCC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.55
ITGA2B P08514 18/20 0.55
S1PR1 P21453 1/20 0.47
HDAC1 Q13547 1/20 0.45

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
SCHEMBL7405707 0.90 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7280721 0.85 S1PR1 (0.54) ITGB3ITGA2BS1PR1HDAC1
Trifluoroacetic Acid SCHEMBL8539839 0.85 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7395840 0.84 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7397288 0.84 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7273113 0.83 ITGB3 (0.48) ITGB3ITGA2BS1PR1HDAC1
SCHEMBL7274316 0.83 ITGB3 (0.61) ITGB3ITGA2BS1PR1HDAC1
SCHEMBL8540990 0.82 F10 (0.52) ITGB3ITGA2BS1PR1
Lithium Ion SCHEMBL8577446 0.81 ITGB3 (0.46) ITGB3ITGA2BS1PR1HDAC1
SCHEMBL7282861 0.79 ITGB3 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed