SCHEMBL7447050

SCHEMBL7447050

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.42
ITGA2B P08514 13/20 0.42
CHRM1 P11229 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
F2R P25116 2/20 0.37

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
SCHEMBL7441748 0.92 CHRM1 (0.44) ITGB3ITGA2BCHRM1MEN1ALDH1A1
SCHEMBL7437367 0.88 ITGB3 (0.41) ITGB3ITGA2BCHRM1MEN1ALDH1A1
SCHEMBL7446169 0.86 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7439547 0.85 ITGB3 (0.48) ITGB3ITGA2BALDH1A1F2R
Hydrochloric Acid SCHEMBL7439542 0.85 ITGB3 (0.47) ITGB3ITGA2BALDH1A1F2R
SCHEMBL7439747 0.84 MEN1 (0.41) ITGB3ITGA2BCHRM1MEN1ALDH1A1
SCHEMBL7439743 0.83 MEN1 (0.37) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7437044 0.82 MEN1 (0.41) ITGB3ITGA2BCHRM1MEN1ALDH1A1
SCHEMBL7439750 0.82 ITGB3 (0.39) ITGB3ITGA2BMEN1ALDH1A1MAPT
SCHEMBL7437038 0.81 MEN1 (0.36) ITGB3ITGA2BMEN1ALDH1A1MAPT

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