SCHEMBL27609302

SCHEMBL27609302

[CH2]CCC1CC(OCc2ccc3ccccc3c2)CCN1C(=O)C(N)Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC3R P41968 16/20 0.60
MC4R P32245 15/20 0.60
MC1R Q01726 15/20 0.60
DPP4 P27487 3/20 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
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL6179319 0.82 MC3R (0.59) MC3RMC4RMC1R
SCHEMBL6179328 0.80 MC3R (0.49) MC3RMC4RMC1R
SCHEMBL5998788 0.79 MC3R (0.47) MC3RMC4RMC1RF2PRSS1
SCHEMBL5996424 0.74 MC4R (0.56) MC3RMC4RMC1R
SCHEMBL3127940 0.72 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL5844838 0.71 MC3R (0.53) MC3RMC4RMC1RDPP4FAP
SCHEMBL13835262 0.70 MC4R (0.55) MC3RMC4RMC1RDPP4FAP
Hydrochloric Acid SCHEMBL5844431 0.68 MC4R (0.60) MC3RMC4RMC1RDPP4
SCHEMBL6172375 0.68 MC4R (0.60) MC3RMC4RMC1RDPP4
SCHEMBL4738849 0.68 MC3R (0.53) MC3RMC4RMC1RDPP4FAP

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
CN-1543461-A Melanocortin receptor ligands 2004-11-03 CN disclosed