SCHEMBL7452172

SCHEMBL7452172

CCOC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCNCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
F2R P25116 8/20 0.51
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.43
CHRM1 P11229 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7439547 0.91 ITGB3 (0.48) ITGB3ITGA2BF2RHTTALDH1A1
Hydrochloric Acid SCHEMBL7439542 0.90 ITGB3 (0.47) ITGB3ITGA2BF2RHTTALDH1A1
SCHEMBL7440559 0.86 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7441748 0.84 CHRM1 (0.44) ITGB3ITGA2BF2RHTTALDH1A1
Trifluoroacetic Acid SCHEMBL7501292 0.84 ITGB3 (0.45) ITGB3ITGA2BF2R
SCHEMBL7444452 0.83 ITGB3 (0.47) ITGB3ITGA2BF2RCHRM1
Hydrochloric Acid SCHEMBL7444449 0.83 ITGB3 (0.46) ITGB3ITGA2BF2RCHRM1
SCHEMBL7451967 0.81 ITGB3 (0.46) ITGB3ITGA2BF2RHTTALDH1A1
SCHEMBL7451961 0.81 ITGB3 (0.51) ITGB3ITGA2BF2RHTTALDH1A1
SCHEMBL7503334 0.80 ITGB3 (0.74) ITGB3ITGA2BF2R

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