SCHEMBL7330409

SCHEMBL7330409

CC(CCOc1ccc(N2CCN(c3ccncc3)CC2)c(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HRH3 Q9Y5N1 13/20 0.46
HRH1 P35367 6/20 0.44
HRH2 P25021 3/20 0.42
PDK2 Q15119 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
LTB4R Q15722 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PRKD1 Q15139 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL7401781 0.84 HRH3 (0.51) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7332012 0.83 HRH3 (0.48) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7330413 0.82 ITGB3 (0.47) ITGB3ITGA2BHRH3PPARGPRKD1
SCHEMBL7401777 0.81 PPARG (0.45) ITGB3ITGA2BHRH3PPARGPPARA
SCHEMBL7402995 0.77 NPY2R (0.43) ITGB3ITGA2BHRH3PRKD1HTR1A
SCHEMBL7330427 0.76 PPARG (0.45) ITGB3ITGA2BHRH3PPARGPPARA
SCHEMBL8635826 0.73 HRH3 (0.54) ITGB3ITGA2BHRH3HRH1HRH2
Hydrochloric Acid SCHEMBL8681084 0.72 HRH3 (0.53) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL8683408 0.72 CHKA (0.45)
SCHEMBL7403779 0.71 ITGB3 (0.58) ITGB3ITGA2BHRH3HRH1HRH2

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 6 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-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 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
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed