SCHEMBL5406181

SCHEMBL5406181

CCN(CC)CC(c1ccccc1C(F)(F)F)N1CCN(C(=O)C(N)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.57
MC5R P33032 6/20 0.52
MC3R P41968 6/20 0.52
MC1R Q01726 6/20 0.52
CNR1 P21554 1/20 0.44
AKT1 P31749 5/20 0.43
AKT2 P31751 1/20 0.43
AKT1S1 Q96B36 1/20 0.43
AKT3 Q9Y243 1/20 0.43

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
SCHEMBL14593415 1.00 MC4R (0.57) MC4RMC5RMC3RMC1RCNR1
SCHEMBL5403199 0.88 MC4R (0.66) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593405 0.88 MC4R (0.66) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593547 0.88 MC4R (0.60) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5413808 0.88 MC4R (0.60) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593554 0.88 MC4R (0.60) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5411152 0.87 MC4R (0.54) MC4RMC5RMC3RMC1RAKT1
SCHEMBL14593420 0.86 MC4R (0.56) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5409228 0.85 MC4R (0.57) MC4RMC5RMC3RMC1RAKT1
SCHEMBL5411270 0.84 MC4R (0.52) 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