SCHEMBL7447066

SCHEMBL7447066

C#CC(CC(=O)OCCCC)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCNCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 16/20 0.48
F2R P25116 7/20 0.40
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 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
Hydrochloric Acid SCHEMBL7459720 0.97 ITGB3 (0.47) ITGB3ITGA2BF2RHTT
SCHEMBL7451961 0.92 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1GAA
SCHEMBL7439743 0.87 MEN1 (0.37) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7447082 0.85 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1GAA
Hydrochloric Acid SCHEMBL7439581 0.84 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1HTT
SCHEMBL7437038 0.84 MEN1 (0.36) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7439973 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7443655 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7441448 0.84 ITGB3 (0.61) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7445125 0.83 ITGB3 (0.61) 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 2 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
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