SCHEMBL5409228

SCHEMBL5409228

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.57
MC5R P33032 6/20 0.45
MC3R P41968 6/20 0.45
MC1R Q01726 6/20 0.45
AKT1 P31749 6/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL5406030 0.93 AKT1 (0.48) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593526 0.93 AKT1 (0.48) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593548 0.90 MC4R (0.59) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593549 0.90 AKT1 (0.49) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593543 0.89 MC4R (0.52) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5400393 0.89 MC4R (0.52) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5411270 0.87 MC4R (0.52) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5411289 0.85 MC4R (0.48) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5406181 0.85 MC4R (0.57) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593415 0.85 MC4R (0.57) MC4RMC5RMC3RMC1RAKT1

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