SCHEMBL7440764

SCHEMBL7440764

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ITGB3 P05106 13/20 0.40
ITGA2B P08514 13/20 0.40
HPGD P15428 1/20 0.39
F2R P25116 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7437958 1.00 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7442706 1.00 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7448410 0.94 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7446587 0.91 STS (0.39) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7440116 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7444296 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7467594 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7439734 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7451027 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTITGB3
SCHEMBL7439747 0.88 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTITGB3

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