SCHEMBL6922986

SCHEMBL6922986

CCOC(=O)C1CCCC[C@@H]1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)NC(=O)C(CCO)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.53
MC3R P41968 4/20 0.43
CYP3A4 P08684 3/20 0.40
UGCG Q16739 3/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MC5R P33032 2/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL6735971 1.00 MC4R (0.53) MC4RMC3RCYP3A4UGCGMAPT
SCHEMBL6736762 0.94 MC4R (0.59) MC4RMC3RCYP3A4UGCGMAPT
SCHEMBL6736763 0.94 MC4R (0.59) MC4RMC3RCYP3A4UGCGMAPT
SCHEMBL6736765 0.94 MC4R (0.59) MC4RMC3RCYP3A4UGCGMAPT
SCHEMBL6737704 0.91 MC4R (0.50) MC4RMC3RCYP3A4UGCGMAPT
SCHEMBL6739684 0.84 MC4R (0.60) MC4RMC3RCYP3A4UGCGALDH1A1
SCHEMBL6739689 0.84 MC4R (0.60) MC4RMC3RCYP3A4UGCGALDH1A1
SCHEMBL6739687 0.84 MC4R (0.60) MC4RMC3RCYP3A4UGCGALDH1A1
SCHEMBL6738398 0.83 MC4R (0.58) MC4RMC3RCYP3A4UGCGALDH1A1
SCHEMBL6738395 0.83 MC4R (0.58) MC4RMC3RCYP3A4UGCGALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058735-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-15 WO disclosed