SCHEMBL7400370

SCHEMBL7400370

CCCC(Oc1cccc(N2CCN(c3ccncc3)CC2)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
AOC3 Q16853 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ROCK2 O75116 1/20 0.45
PLOD2 O00469 2/20 0.44
PLOD3 O60568 2/20 0.44
PLOD1 Q02809 2/20 0.44
ALDH1A1 P00352 2/20 0.42
KHK P50053 1/20 0.42
DRD2 P14416 1/20 0.41
TSHR P16473 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7398025 0.91 TSHR (0.47) AOC3ITGB3ITGA2BROCK2PLOD2
SCHEMBL7397030 0.89 AOC3 (0.47) AOC3ITGB3ITGA2BROCK2PLOD2
SCHEMBL7403375 0.81 AOC3 (0.48) AOC3ITGB3ITGA2BROCK2PLOD2
SCHEMBL27462188 0.80 HRH3 (0.54) DRD2HRH3
SCHEMBL7393253 0.79 ITGB3 (0.56) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL7395114 0.76 SMN1; SMN2 (0.55) ITGB3ITGA2BALDH1A1TSHRCYP2D6
SCHEMBL8636929 0.75 MAPT (0.48) ITGB3ITGA2BROCK2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8837964 0.75 ITGB3 (0.45) AOC3ITGB3ITGA2BROCK2TSHR
SCHEMBL8632825 0.75 FAAH (0.42) PPARGPPARAITGB3ITGA2BALDH1A1
SCHEMBL8681189 0.75 ITGB3 (0.42) ITGB3ITGA2BROCK2ALDH1A1TSHR

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 disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US 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