SCHEMBL5406028

SCHEMBL5406028

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.38
GPX4 P36969 3/20 0.38
MC5R P33032 6/20 0.38
MC3R P41968 6/20 0.38
MC1R Q01726 6/20 0.38
AKT1S1 Q96B36 2/20 0.36
TACR3 P29371 1/20 0.35

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
SCHEMBL5400390 0.95 MC4R (0.45) MC4RMC5RMC3RMC1RTACR3
SCHEMBL5409225 0.93 MC4R (0.49) MC4RMC5RMC3RMC1RAKT1S1
SCHEMBL5411286 0.92 MC4R (0.42) MC4RMC5RMC3RMC1RTACR3
SCHEMBL5413805 0.88 MC4R (0.50) MC4RMC5RMC3RMC1R
SCHEMBL5411345 0.87 MC4R (0.48) MC4RMC5RMC3RMC1R
SCHEMBL5403197 0.87 MC4R (0.54) MC4RMC5RMC3RMC1R
SCHEMBL5413589 0.85 MC4R (0.50) MC4RMC5RMC3RMC1R
SCHEMBL5406175 0.84 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL5406153 0.83 MC4R (0.47) MC4R
SCHEMBL5411103 0.83 MC4R (0.48) MC4R

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
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed