SCHEMBL7439734

SCHEMBL7439734

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM1 P11229 3/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.35
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7444296 1.00 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7467594 1.00 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7440116 1.00 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7452048 0.94 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7439747 0.92 MEN1 (0.41) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7438518 0.92 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7437044 0.91 MEN1 (0.41) ALDH1A1MEN1MAPTKMT2ACHRM1
SCHEMBL7440764 0.91 KMT2A (0.46) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7437958 0.91 KMT2A (0.46) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7442706 0.91 KMT2A (0.46) ALDH1A1MEN1MAPTKMT2AHPGD

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