SCHEMBL8543333

SCHEMBL8543333

N=C(N)c1ccc(-n2ccn(CC(=O)NCCCC(=O)O)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.49
ITGA2B P08514 18/20 0.49
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ST14 Q9Y5Y6 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL7396061 0.94 ITGB3 (0.44) ITGB3ITGA2BMAPTRXFP1
SCHEMBL7395044 0.93 ITGB3 (0.53) ITGB3ITGA2BMAPTRXFP1ST14
Trifluoroacetic Acid SCHEMBL7400268 0.88 ITGB3 (0.47) ITGB3ITGA2BMAPTRXFP1
Trifluoroacetic Acid SCHEMBL7394355 0.85 F2 (0.41) ITGB3ITGA2BMAPTRXFP1
SCHEMBL7396063 0.84 ITGB3 (0.37) ITGB3ITGA2BMAPTRXFP1ST14
SCHEMBL7400534 0.83 ITGB3 (0.55) ITGB3ITGA2BST14
SCHEMBL7403166 0.82 ITGB3 (0.45) ITGB3ITGA2BST14
Hydrochloric Acid SCHEMBL7404704 0.81 ALOX15 (0.44) ITGB3ITGA2BST14
SCHEMBL7404093 0.80 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7400272 0.80 MAPT (0.37) ITGB3ITGA2BMAPTRXFP1ST14

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-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed