SCHEMBL7403776

SCHEMBL7403776

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 9/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
CHKA P35790 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8605223 0.90 ITGB3 (0.47) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL8630665 0.78 HRH3 (0.49) HRH3
Butane SCHEMBL27464815 0.78 ITGB3 (0.47) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL8656238 0.78 ALDH1A1 (0.48) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL8635833 0.78 CYP2C9 (0.45) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7398606 0.77 ITGB3 (0.44) ITGB3ITGA2BALDH1A1GAAHRH3
Hydrochloric Acid SCHEMBL8681089 0.77 CYP2C9 (0.44) ITGB3ITGA2BALDH1A1GAAHRH3
Hydrochloric Acid SCHEMBL8637474 0.77 CYP2C9 (0.44) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL27464401 0.77 ITGB3 (0.46) ITGB3ITGA2BALDH1A1GAAHRH3
SCHEMBL7398255 0.75 ITGB3 (0.47) 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 5 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 claimed
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