SCHEMBL5409225

SCHEMBL5409225

CCN(CC(N)=O)CC(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)[CH]Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.49
HRH3 Q9Y5N1 4/20 0.40
CCR3 P51677 2/20 0.39
CNR2 P34972 1/20 0.39
RPS6KB1 P23443 4/20 0.38
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
AKT1S1 Q96B36 1/20 0.36
TEAD1 P28347 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5406028 0.93 MC4R (0.38) MC4RMC5RMC3RMC1RAKT1S1
SCHEMBL5400390 0.89 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL5411265 0.88 MC4R (0.44) MC4RHRH3MC5RMC3RMC1R
SCHEMBL5411286 0.86 MC4R (0.42) MC4RMC5RMC3RMC1R
SCHEMBL5406175 0.85 MC4R (0.51) MC4RCNR2MC5RMC3RMC1R
SCHEMBL5411345 0.83 MC4R (0.48) MC4RMC5RMC3RMC1R
SCHEMBL5403197 0.82 MC4R (0.54) MC4RMC5RMC3RMC1R
SCHEMBL5413805 0.82 MC4R (0.50) MC4RCNR2MC5RMC3RMC1R
SCHEMBL5413589 0.81 MC4R (0.50) MC4RMC5RMC3RMC1R
SCHEMBL5409228 0.79 MC4R (0.57) MC4RMC5RMC3RMC1R

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
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US claimed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US claimed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP claimed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO claimed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed