SCHEMBL7439593

SCHEMBL7439593

C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCNCC2)C1)C(=O)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.54
ITGA2B P08514 12/20 0.54
F2R P25116 3/20 0.41
CAPN1 P07384 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7446606 0.87 STS (0.42) ITGB3ITGA2BCAPN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7439581 0.85 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1NPC1
Hydrochloric Acid SCHEMBL7439586 0.85 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1NPC1
SCHEMBL7447082 0.85 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1HTT
SCHEMBL7451972 0.84 ITGB3 (0.50) ITGB3ITGA2BF2RALDH1A1HTT
SCHEMBL7459730 0.84 ITGB3 (0.47) ITGB3ITGA2BF2RALDH1A1HTT
SCHEMBL7445679 0.83 ITGB3 (0.63) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7445140 0.83 ITGB3 (0.54) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7448711 0.83 ITGB3 (0.57) ITGB3ITGA2BF2RCAPN1ALDH1A1
Hydrochloric Acid SCHEMBL7448697 0.80 ITGB3 (0.64) ITGB3ITGA2BF2RALDH1A1TSHR

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