SCHEMBL7459730

SCHEMBL7459730

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.47
ITGA2B P08514 14/20 0.47
F2R P25116 7/20 0.42
PADI1 Q9ULC6 1/20 0.37
PADI4 Q9UM07 1/20 0.37
HTT P42858 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
BCHE P06276 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7447082 0.97 ITGB3 (0.48) ITGB3ITGA2BF2RPADI1PADI4
SCHEMBL7451972 0.91 ITGB3 (0.50) ITGB3ITGA2BF2RPADI1PADI4
SCHEMBL7437047 0.86 ITGB3 (0.38) ITGB3ITGA2BF2RGAAALDH1A1
Hydrochloric Acid SCHEMBL7459720 0.85 ITGB3 (0.47) ITGB3ITGA2BF2RHTT
Hydrochloric Acid SCHEMBL7445140 0.84 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7439750 0.84 ITGB3 (0.39) ITGB3ITGA2BF2RGAAALDH1A1
SCHEMBL7439593 0.84 ITGB3 (0.54) ITGB3ITGA2BF2RHTTALDH1A1
Hydrochloric Acid SCHEMBL7459725 0.84 ITGB3 (0.42) ITGB3ITGA2BF2RHTTGAA
SCHEMBL7447066 0.83 ITGB3 (0.48) ITGB3ITGA2BF2RHTTGAA
SCHEMBL7447069 0.82 ITGB3 (0.43) ITGB3ITGA2BF2RHTTGAA

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 1 patent. 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