SCHEMBL8634962

SCHEMBL8634962

CCC(CCOc1ccc(N2CCN(c3ccncc3)CC2=O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HRH3 Q9Y5N1 16/20 0.45
KCNH2 Q12809 2/20 0.44
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HRH1 P35367 4/20 0.40
HRH2 P25021 2/20 0.39

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
SCHEMBL7403779 0.90 ITGB3 (0.58) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7335391 0.82 HRH3 (0.50) ITGB3ITGA2BHRH3KCNH2MAPT
SCHEMBL7333032 0.80 HRH3 (0.47) ITGB3ITGA2BHRH3KCNH2MAPT
SCHEMBL7994992 0.78 LMNA (0.43) MAPK1
SCHEMBL7332462 0.76 GRM5 (0.47) ITGB3ITGA2BHRH3KCNH2MAPT
SCHEMBL8634522 0.74 HRH3 (0.47) ITGB3ITGA2BHRH3KCNH2MAPT
SCHEMBL7324874 0.71 CHKA (0.41) KCNH2MAPTPKM
SCHEMBL9081854 0.71 ITGB3 (0.51) ITGB3ITGA2BHRH3MAPTPKM
SCHEMBL9080518 0.69 ITGB3 (0.54) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7393253 0.69 ITGB3 (0.56) ITGB3ITGA2BHRH3MAPK1

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 1 patent. 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