SCHEMBL4576726

SCHEMBL4576726

CC(C)(C)N1CC(C(=O)N2CCC(c3ccc(F)cc3C(C(=O)N3CCC3)C3CC3)CC2)C(c2ccc(F)cc2F)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.61
MC3R P41968 2/20 0.61
PRCP P42785 11/20 0.59
MC5R P33032 1/20 0.55

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
SCHEMBL4576722 1.00 MC4R (0.61) MC4RMC3RPRCPMC5R
SCHEMBL4591032 0.94 MC4R (0.69) MC4RMC3RPRCPMC5R
SCHEMBL27397690 0.88 MC4R (0.49) MC4RMC3RPRCPMC5R
SCHEMBL4591012 0.86 MC4R (0.71) MC4RMC3RPRCPMC5R
SCHEMBL4577568 0.86 MC4R (0.71) MC4RMC3RPRCPMC5R
SCHEMBL4592236 0.86 MC4R (0.71) MC4RMC3RPRCPMC5R
SCHEMBL4576906 0.86 MC4R (0.71) MC4RMC3RPRCPMC5R
SCHEMBL4576912 0.86 MC4R (0.71) MC4RMC3RPRCPMC5R
SCHEMBL27392877 0.83 MC4R (0.73) MC4RMC3RPRCPMC5R
SCHEMBL4955655 0.82 MC4R (0.73) MC4RMC3RPRCPMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 EP claimed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP claimed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 WO claimed
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 EP disclosed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 WO disclosed