SCHEMBL7399382

SCHEMBL7399382

O=C(O)CC1(O)CCC(N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.49
ITGA2B P08514 14/20 0.49
HRH3 Q9Y5N1 3/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7399380 1.00 ITGB3 (0.49) ITGB3ITGA2BHRH3KDM4EALDH1A1
SCHEMBL7788302 0.83 ITGB3 (0.67) ITGB3ITGA2BHRH3
SCHEMBL7788361 0.83 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7298004 0.81 ITGB3 (0.67) ITGB3ITGA2BHRH3MEN1KMT2A
SCHEMBL7788333 0.81 DRD2 (0.51) ITGB3ITGA2BHRH3
SCHEMBL7297997 0.81 ITGB3 (0.67) ITGB3ITGA2BHRH3MEN1KMT2A
SCHEMBL7787513 0.81 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7298008 0.81 ITGB3 (0.67) ITGB3ITGA2BHRH3MEN1KMT2A
SCHEMBL8303817 0.80 KDM4E (0.40) ITGB3ITGA2BHRH3KDM4EALDH1A1
SCHEMBL7790715 0.80 ITGB3 (0.54) ITGB3ITGA2B

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
EP-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 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