SCHEMBL7857079

SCHEMBL7857079

NCCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.60
ERAP2 Q6P179 4/20 0.60
ERAP1 Q9NZ08 3/20 0.60
MMP2 P08253 1/20 0.56
LTA4H P09960 1/20 0.51
ACE P12821 2/20 0.48
CPA1 P15085 2/20 0.47
CPA2 P48052 1/20 0.47
CPA4 Q9UI42 1/20 0.47
MME P08473 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL30565150 1.00 LNPEP (0.60) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL1246343 0.96 LNPEP (0.55) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL7857980 0.96 LNPEP (0.55) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL23680478 0.95 LNPEP (0.66) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL30565149 0.90 LNPEP (0.52) LNPEPERAP2ERAP1MMP2LTA4H
SCHEMBL29405927 0.88 LNPEP (0.52) LNPEPERAP2ERAP1MMP2CPA1
SCHEMBL1374145 0.88 MMP2 (0.64) LNPEPERAP2MMP2LTA4HACE
SCHEMBL17510189 0.88 MMP2 (0.64) LNPEPERAP2MMP2LTA4HACE
SCHEMBL1374146 0.88 MMP2 (0.64) LNPEPERAP2MMP2LTA4HACE
SCHEMBL30688845 0.88 MMP2 (0.64) LNPEPERAP2MMP2LTA4HACE

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed