SCHEMBL7330413

SCHEMBL7330413

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
HRH3 Q9Y5N1 2/20 0.40
PTGDR Q13258 2/20 0.40
HTR1A P08908 4/20 0.39
HTR7 P34969 3/20 0.39
DRD2 P14416 2/20 0.39
PRKD1 Q15139 2/20 0.39
HTR6 P50406 1/20 0.39
ROCK2 O75116 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
METAP1 P53582 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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 0.83 HRH3 (0.51) ITGB3ITGA2BHRH3
SCHEMBL7401777 0.82 PPARG (0.45) ITGB3ITGA2BHRH3PRKD1PPARG
SCHEMBL7330409 0.82 ITGB3 (0.46) ITGB3ITGA2BHRH3HTR1AHTR7
SCHEMBL7402995 0.80 NPY2R (0.43) ITGB3ITGA2BHRH3HTR1AHTR7
SCHEMBL7332012 0.78 HRH3 (0.48) ITGB3ITGA2BHRH3HTR1AHTR7
SCHEMBL7330427 0.77 PPARG (0.45) ITGB3ITGA2BHRH3HTR1AHTR7
SCHEMBL8683408 0.72 CHKA (0.45) ALDH1A1GAAMETAP1
SCHEMBL7403780 0.71 ITGB3 (0.55) ITGB3ITGA2BHRH3ALDH1A1GAA
SCHEMBL7406471 0.69 CCR5 (0.42) ITGB3ITGA2BPTGDR
SCHEMBL7395116 0.69 HRH3 (0.50) ITGB3ITGA2BHRH3

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