SCHEMBL7857073

SCHEMBL7857073

NCCC[C@@H](N)C(=O)N(CCOc1ccc2ccccc2c1)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.49
MC5R P33032 5/20 0.49
MC3R P41968 4/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
LTA4H P09960 2/20 0.41
MC1R Q01726 3/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PTPN7 P35236 1/20 0.39

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
SCHEMBL7857113 1.00 MC4R (0.49) MC4RMC5RMC3RKDM4EALDH1A1
SCHEMBL8360637 0.92 MC4R (0.52) MC4RMC5RMC3RKDM4EALDH1A1
SCHEMBL8360633 0.92 MC4R (0.52) MC4RMC5RMC3RKDM4EALDH1A1
SCHEMBL7857808 0.91 MC4R (0.60) MC4RMC5RMC3RKDM4EALDH1A1
SCHEMBL8358504 0.91 MC4R (0.60) MC4RMC5RMC3RKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7850378 0.87 MC4R (0.47) MC4RMC5RMC3RKDM4EALDH1A1
SCHEMBL7857926 0.80 MC4R (0.43) MC4RMC5RMC3RCA12CA1
SCHEMBL7857925 0.80 MC4R (0.43) MC4RMC5RMC3RCA12CA1
SCHEMBL7860788 0.78 MC4R (0.48) MC4RMC5RMC3RKDM4EALDH1A1
SCHEMBL7859157 0.77 MC4R (0.46) MC4RMC5RMC3RCA12CA1

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