SCHEMBL7447069

SCHEMBL7447069

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.43
ITGA2B P08514 14/20 0.43
F2R P25116 9/20 0.40
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BCHE P06276 1/20 0.35
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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 SCHEMBL7459725 0.97 ITGB3 (0.42) ITGB3ITGA2BF2RALDH1A1GAA
SCHEMBL7451967 0.91 ITGB3 (0.46) ITGB3ITGA2BF2RALDH1A1GAA
SCHEMBL7439747 0.86 MEN1 (0.41) ITGB3ITGA2BALDH1A1
SCHEMBL7439975 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7447768 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7441453 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7443663 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7450438 0.85 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7437044 0.84 MEN1 (0.41) ITGB3ITGA2BALDH1A1BCHE
Hydrochloric Acid SCHEMBL7439586 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1GAA

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