SCHEMBL7450396

SCHEMBL7450396

C#C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)CCCC2CN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 18/20 0.42
ITGA2B P08514 18/20 0.42
F2R P25116 7/20 0.42
CHRM1 P11229 1/20 0.38

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
SCHEMBL7499673 0.91 ITGB3 (0.48) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7500017 0.91 ITGB3 (0.48) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7501423 0.91 ITGB3 (0.48) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7504003 0.86 ITGB3 (0.43) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7447140 0.85 ITGB3 (0.54) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7502053 0.85 ITGB3 (0.45) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7450401 0.84 ITGB3 (0.46) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7501005 0.84 ITGB3 (0.45) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7506666 0.83 ITGB3 (0.44) MEN1ALDH1A1MAPTKMT2AITGB3
SCHEMBL7450393 0.83 ITGB3 (0.44) MEN1ALDH1A1MAPTKMT2AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed