SCHEMBL5403213

SCHEMBL5403213

CN(CC(c1ccccc1Cl)N1CCN(C(=O)[CH]Cc2ccc(Cl)cc2)CC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 7/20 0.41
CNR1 P21554 6/20 0.39
CNR2 P34972 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
DPP4 P27487 1/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNA1B Q00975 2/20 0.35
CACNB1 Q02641 2/20 0.35
CACNA1G O43497 1/20 0.35
TACR3 P29371 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR183 P32249 1/20 0.34

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
SCHEMBL5413805 0.85 MC4R (0.50) MC4RCNR1CNR2MC5RMC3R
SCHEMBL5418108 0.80 MC4R (0.46) MC4RCNR2MC5RMC3RMC1R
SCHEMBL5411151 0.80 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL5403197 0.77 MC4R (0.54) MC4RMC5RMC3RMC1R
SCHEMBL5411342 0.76 MC4R (0.49) MC4RCNR2MC5RMC3RMC1R
SCHEMBL5413876 0.76 MC4R (0.49) MC4RCNR2MC5RMC3RMC1R
SCHEMBL5410833 0.75 MC4R (0.49) MC4RCNR2MC5RMC3RMC1R
SCHEMBL5406175 0.75 MC4R (0.51) MC4RCNR1CNR2MC5RMC3R
SCHEMBL5400390 0.74 MC4R (0.45) MC4RMC5RMC3RMC1RCACNA2D1
SCHEMBL5403218 0.74 MC4R (0.49) 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