SCHEMBL7439730

SCHEMBL7439730

C#CC(CC(=O)OCC)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM1 P11229 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
F2R P25116 1/20 0.34

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
SCHEMBL7444290 1.00 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7440109 1.00 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7452040 0.94 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7439743 0.92 MEN1 (0.37) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7438515 0.92 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7437038 0.92 MEN1 (0.36) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7459675 0.91 MEN1 (0.37) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7437953 0.90 ITGB3 (0.45) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7440757 0.90 ITGB3 (0.45) ALDH1A1MEN1MAPTKMT2AITGB3
SCHEMBL7441377 0.88 ITGB3 (0.38) ALDH1A1MEN1MAPTKMT2AITGB3

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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