SCHEMBL6172579

SCHEMBL6172579

CC(=O)N1CCC(C2(Cn3cncn3)CCN(C(=O)[C@H](Cc3ccc(Cl)cc3)NS(C)(=O)=O)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.64
MC3R P41968 2/20 0.64
MC1R Q01726 2/20 0.64
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MC5R P33032 1/20 0.36
F2 P00734 1/20 0.36
CYP3A4 P08684 2/20 0.35
UGCG Q16739 2/20 0.35

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
SCHEMBL5887751 0.92 MC4R (0.72) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5887749 0.92 MC4R (0.72) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5888408 0.92 MC4R (0.72) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL6177788 0.91 MC4R (0.62) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL6175421 0.91 MC4R (0.62) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL3142002 0.87 MC4R (0.74) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5887720 0.86 MC4R (0.72) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5887882 0.86 MC4R (0.72) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5887718 0.86 MC4R (0.72) MC4RMC3RMC1RALDH1A1KDM4E
SCHEMBL5887836 0.85 MC4R (0.70) MC4RMC3RMC1RALDH1A1KDM4E

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
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP claimed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO claimed