SCHEMBL7455673

SCHEMBL7455673

N#Cc1ccc(N2CC[C@H](NC(=O)NCCC(=O)OC3CCCCC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FPR2 P25090 9/20 0.44
FNTA P49354 6/20 0.38
FNTB P49356 6/20 0.38
PGGT1B P53609 5/20 0.38
FPR1 P21462 6/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP4 P27487 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL7449160 0.88 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7420718 0.85 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7415603 0.85 ITGB3 (0.72) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7455119 0.84 ITGB3 (0.74) ITGB3ITGA2BFPR2FPR1
SCHEMBL8107898 0.84 ITGB3 (0.56) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL8102018 0.84 ITGB3 (0.56) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7442381 0.83 ITGB3 (0.62) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7449777 0.83 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7447587 0.83 ITGB3 (0.59) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL7453824 0.82 ITGB3 (0.60) ITGB3ITGA2BHDAC1HDAC8HDAC6

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-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed