SCHEMBL7403780

SCHEMBL7403780

CCC(CCC(=O)O)Oc1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HRH3 Q9Y5N1 5/20 0.43

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
SCHEMBL7404767 0.87 ITGB3 (0.43) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7994997 0.85 FFAR1 (0.38) ALDH1A1
SCHEMBL7393253 0.80 ITGB3 (0.56) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7334455 0.76 ITGB3 (0.51) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL11566578 0.75 FFAR1 (0.42) ALDH1A1
SCHEMBL7395120 0.75 ITGB3 (0.58) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7334548 0.75 ITGB3 (0.62) ITGB3ITGA2BHRH3
SCHEMBL23754113 0.74 FFAR1 (0.48) ALDH1A1
SCHEMBL7336053 0.74 ITGB3 (0.40) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7403779 0.74 ITGB3 (0.58) ITGB3ITGA2BALDH1A1GAAHRH3

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