SCHEMBL6979019

SCHEMBL6979019

CCOC(=O)C(CNC(=O)CCC(=O)Nc1ccc(C(=N)N)c(C)c1)n1ccnn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
GAA P10253 2/20 0.38
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NAMPT P43490 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 3/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL6982396 0.80 ITGB3 (0.35) ITGB3ITGA2BGAATHRBNAMPT
SCHEMBL6980649 0.77 ADORA2A (0.41) ITGB3ITGA2BGAASMN1; SMN2NAMPT
SCHEMBL9260366 0.74 PDK1 (0.40) ITGB3ITGA2BGAANAMPTPOLB
SCHEMBL7086228 0.73 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2POLBMAPK1
SCHEMBL6985594 0.71 ITGB3 (0.39) ITGB3ITGA2BGAAPOLBMAPT
SCHEMBL7347870 0.69 ITGB3 (0.57) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL7348941 0.69 ITGB3 (0.57) ITGB3ITGA2BGAALMNAMAPT
SCHEMBL6981952 0.68 ALDH1A1 (0.49) ITGB3ITGA2BMAPTTDP1ALDH1A1
SCHEMBL9558957 0.68 ITGB3 (0.58) ITGB3ITGA2BF2F10
SCHEMBL9427169 0.66 ITGB3 (0.38) ITGB3ITGA2BGAALMNAPOLB

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