SCHEMBL6985725

SCHEMBL6985725

CCCCCCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXA2R P21731 1/20 0.41
HTT P42858 2/20 0.40
TBXAS1 P24557 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
SCHEMBL6981952 0.87 ALDH1A1 (0.49) ITGB3ITGA2BKMT2AHTT
SCHEMBL6983016 0.85 ITGB3 (0.47) ITGB3ITGA2BKMT2AHTT
SCHEMBL6984397 0.82 ITGB3 (0.46) ITGB3ITGA2BSMN1; SMN2
SCHEMBL28241344 0.71 TBXA2R (0.47) MAPK1TBXA2RHTTTBXAS1
SCHEMBL6983967 0.71 ITGB3 (0.51) ITGB3ITGA2BHTT
SCHEMBL7348941 0.70 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7347870 0.70 ITGB3 (0.57) ITGB3ITGA2BHTT
SCHEMBL13714942 0.69 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL6983606 0.68 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7347948 0.68 ITGB3 (0.69) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed