SCHEMBL7857045

SCHEMBL7857045

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
LTA4H P09960 1/20 0.45
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
MC3R P41968 2/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRND Q07001 1/20 0.43
ERAP2 Q6P179 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
FCER2 P06734 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
OPRK1 P41145 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL7857072 0.97 MMP2 (0.47) MMP2LTA4HMC4RMC5RMC3R
Trifluoroacetic Acid SCHEMBL7850362 0.92 MMP2 (0.43) MMP2LTA4HMC4RMC5RMC3R
SCHEMBL7857129 0.88 ERAP2 (0.46) MMP2MC4RMC5RMC3RERAP2
SCHEMBL7857847 0.85 MMP2 (0.47) MMP2LTA4HCHRNA1CHRNGCHRNB1
Trifluoroacetic Acid SCHEMBL8362584 0.85 CTSS (0.48) ITGB3ITGA2BACE
Trifluoroacetic Acid SCHEMBL7860864 0.84 ERAP2 (0.42) MMP2MC4RMC5RMC3RERAP2
SCHEMBL7859203 0.83 LTA4H (0.55) MMP2LTA4HCHRNA1CHRNGCHRNB1
SCHEMBL29616642 0.83 MME (0.57) MMP2MC4RMC5RMC3RFCER2
SCHEMBL7850357 0.82 MMP2 (0.51) MMP2LTA4HCHRNA1CHRNGCHRNB1
SCHEMBL7857903 0.82 CAPN1 (0.45) MMP2ERAP2LNPEPOPRK1

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