SCHEMBL7441748

SCHEMBL7441748

CCOC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.44
ITGB3 P05106 9/20 0.42
ITGA2B P08514 9/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
F2R P25116 1/20 0.39

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
SCHEMBL7447050 0.92 ITGB3 (0.42) CHRM1ITGB3ITGA2BALDH1A1MEN1
SCHEMBL7437367 0.91 ITGB3 (0.41) CHRM1ITGB3ITGA2BALDH1A1MEN1
SCHEMBL7446169 0.89 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7290589 0.87 CHRM1 (0.51) CHRM1ITGB3ITGA2BALDH1A1GAA
SCHEMBL7449634 0.87 ALDH1A1 (0.40) CHRM1HTTALDH1A1GAAMEN1
SCHEMBL7449642 0.86 CHRM1 (0.40) CHRM1ITGB3ITGA2BHTTALDH1A1
SCHEMBL7452172 0.84 ITGB3 (0.51) CHRM1ITGB3ITGA2BHTTALDH1A1
SCHEMBL7446868 0.84 ALDH1A1 (0.40) CHRM1ITGB3ITGA2BHTTALDH1A1
SCHEMBL7506228 0.84 ITGB3 (0.57) CHRM1ITGB3ITGA2BF2R
SCHEMBL7441377 0.83 ITGB3 (0.38) ITGB3ITGA2BHTTALDH1A1GAA

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