SCHEMBL7857129

SCHEMBL7857129

NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Sc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
MC4R P32245 2/20 0.44
MC5R P33032 2/20 0.44
MC3R P41968 2/20 0.44
FCER2 P06734 2/20 0.43
CTSC P53634 1/20 0.43
MMP2 P08253 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRD1 P41143 1/20 0.41
GNPAT O15228 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL7860864 0.95 ERAP2 (0.42) ERAP2LNPEPMC4RMC5RMC3R
SCHEMBL7857072 0.92 MMP2 (0.47) MC4RMC5RMC3RFCER2MMP2
SCHEMBL7857045 0.88 MMP2 (0.52) ERAP2LNPEPMC4RMC5RMC3R
Trifluoroacetic Acid SCHEMBL7850362 0.87 MMP2 (0.43) MC4RMC5RMC3RFCER2MMP2
SCHEMBL7860762 0.82 LNPEP (0.47) ERAP2LNPEPMC4RMC5RMC3R
SCHEMBL7857903 0.81 CAPN1 (0.45) ERAP2LNPEPMMP2OPRK1
Trifluoroacetic Acid SCHEMBL8362584 0.80 CTSS (0.48) OPRD1
SCHEMBL29406233 0.80 ERAP2 (0.60) ERAP2LNPEPCTSCMMP2OPRK1
SCHEMBL30973666 0.79 ERAP2 (0.55) ERAP2LNPEPMC4RMC5RMC3R
SCHEMBL30643724 0.79 ERAP2 (0.55) ERAP2LNPEPMC4RMC5RMC3R

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