SCHEMBL7402500

SCHEMBL7402500

O=C(O)COc1ccc2nccc(N3CCN(c4ccncc4)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.51
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
NCF1 P14598 1/20 0.46
PDGFRB P09619 2/20 0.44
GAA P10253 2/20 0.43
CDK8 P49336 3/20 0.43
KCNH2 Q12809 1/20 0.42
CCNC P24863 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL7399086 0.88 SLC22A12 (0.49) METAP1ITGB3ITGA2BNCF1PDGFRB
SCHEMBL7403661 0.78 MCHR1 (0.48) METAP1ITGB3ITGA2BMEN1KMT2A
SCHEMBL7399584 0.72 GAA (0.47) ITGB3ITGA2BGAAMEN1KMT2A
SCHEMBL7399588 0.72 METAP1 (0.45) METAP1ITGB3ITGA2BMAPTHRH3
SCHEMBL7327928 0.71 HRH3 (0.59) ITGB3ITGA2BMEN1KMT2AHRH3
SCHEMBL7402423 0.71 USP2 (0.54) ITGB3ITGA2BGAAMEN1KMT2A
SCHEMBL7403828 0.71 MEN1 (0.49) ITGB3ITGA2BGAAMEN1KMT2A
SCHEMBL7398480 0.71 ITGB3 (0.53) ITGB3ITGA2BKCNH2HRH3
SCHEMBL7399643 0.71 HRH1 (0.57) ITGB3ITGA2BKCNH2HRH3
SCHEMBL9080607 0.70 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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