SCHEMBL9554635

SCHEMBL9554635

CN(C(=O)[C@@H](CC(=O)C(C)(C)C)Cc1ccccc1)[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
CPA1 P15085 4/20 0.39
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CYP1A2 P05177 1/20 0.35
CPA3 P15088 2/20 0.34
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
FFAR2 O15552 2/20 0.34
MME P08473 2/20 0.33
ANPEP P15144 1/20 0.32
ECE1 P42892 1/20 0.32
FOLH1 Q04609 1/20 0.32

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
SCHEMBL9554926 0.91 LTA4H (0.37) LTA4H
SCHEMBL7321089 0.83 LTA4H (0.40) LTA4HCPA1MMP2MMP9CYP1A2
SCHEMBL9554651 0.80 CPB2 (0.42) LTA4HCPA1CPB2MMEECE1
SCHEMBL9727512 0.80 MME (0.47) LTA4HMMP2MMP9MME
SCHEMBL7379297 0.78 ACE (0.48)
SCHEMBL9740972 0.77 POLB (0.31)
SCHEMBL7269757 0.75 BIRC2 (0.49)
SCHEMBL8524822 0.75 NLN (0.39) CPA1MMP2MMP9MME
SCHEMBL8524821 0.75 NLN (0.39) CPA1MMP2MMP9MME
SCHEMBL31690300 0.74 CYP1A2 (0.61) CPA1CYP1A2CPA3CPB1CPB2

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed