SCHEMBL7330427

SCHEMBL7330427

CCC(C)(Oc1ccc(N2CCN(c3ccncc3)CC2)c(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARA Q07869 3/20 0.45
HRH3 Q9Y5N1 8/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
NPC1 O15118 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL7401777 0.80 PPARG (0.45) PPARGPPARAHRH3ITGB3ITGA2B
SCHEMBL7402995 0.78 NPY2R (0.43) HRH3ITGB3ITGA2BNPC1HTR1A
SCHEMBL7401781 0.77 HRH3 (0.51) HRH3ITGB3ITGA2BNPC1
SCHEMBL7330413 0.77 ITGB3 (0.47) PPARGHRH3ITGB3ITGA2BHTR1A
SCHEMBL7332012 0.76 HRH3 (0.48) HRH3ITGB3ITGA2BNPC1HTR1A
SCHEMBL7330409 0.76 ITGB3 (0.46) PPARGPPARAHRH3ITGB3ITGA2B
SCHEMBL8683408 0.72 CHKA (0.45)
SCHEMBL7400708 0.72 HRH3 (0.54) HRH3HTR1ADRD2
SCHEMBL7403776 0.70 ITGB3 (0.53) PPARAHRH3ITGB3ITGA2B
SCHEMBL7406476 0.69 F10 (0.40) PPARAITGB3ITGA2B

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 7 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-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US 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