SCHEMBL7398255

SCHEMBL7398255

CCC(C)S(=O)(=O)NC(CC)(Oc1ccc(N2CCN(c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
HRH3 Q9Y5N1 5/20 0.40
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
SLC2A1 P11166 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8605949 0.91 ITGB3 (0.44) ITGB3ITGA2BHRH3HIF1AALDH1A1
SCHEMBL7403518 0.84 ITGB3 (0.38) ITGB3ITGA2BHRH3HIF1AALDH1A1
Butane SCHEMBL27464815 0.78 ITGB3 (0.47) ITGB3ITGA2BHRH3HIF1AALDH1A1
SCHEMBL7398606 0.77 ITGB3 (0.44) ITGB3ITGA2BHRH3HIF1AALDH1A1
SCHEMBL7403776 0.75 ITGB3 (0.53) ITGB3ITGA2BHRH3ALDH1A1GAA
SCHEMBL9081854 0.74 ITGB3 (0.51) ITGB3ITGA2BHRH3ALDH1A1SMN1; SMN2
SCHEMBL9080305 0.71 ITGB3 (0.48) ITGB3ITGA2BHRH3ALDH1A1GAA
SCHEMBL7393253 0.70 ITGB3 (0.56) ITGB3ITGA2BHRH3HIF1AALDH1A1
SCHEMBL8656238 0.69 ALDH1A1 (0.48) ITGB3ITGA2BHRH3HIF1AALDH1A1
SCHEMBL8605223 0.69 ITGB3 (0.47) ITGB3ITGA2BHRH3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed