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Sugi Predict / Compounds / SCHEMBL5333491

SCHEMBL5333491

SCHEMBL5333491

CC(C)CN(c1ccccc1N1CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)CC2NCc3ccccc32)CC1)S(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.63
▸ MC5R P33032 1/20 0.58
▸ MC3R P41968 1/20 0.58
▸ MC1R Q01726 1/20 0.58

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
SCHEMBL14355690 1.00 MC4R (0.63) MC4RMC5RMC3RMC1R
SCHEMBL14356085 0.93 MC4R (0.55) MC4RMC5RMC3RMC1R
SCHEMBL5338087 0.93 MC4R (0.55) MC4RMC5RMC3RMC1R
SCHEMBL14356083 0.92 MC4R (0.54) MC4RMC5RMC3RMC1R
SCHEMBL4519207 0.86 MC4R (0.66) MC4R
SCHEMBL4519210 0.82 MC4R (0.65) MC4R
SCHEMBL12740897 0.81 MC4R (0.67) MC4RMC5RMC3RMC1R
SCHEMBL14593099 0.80 MC4R (0.67) MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5400756 0.80 MC4R (0.66) MC4RMC5RMC3RMC1R
SCHEMBL14593233 0.80 MC4R (0.71) MC4RMC5RMC3RMC1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 — — EP claimed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 — — WO claimed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 — — US disclosed