SCHEMBL14623196

SCHEMBL14623196

CC(=O)N[C@@H](C)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC4R P32245 19/20 0.67
MC3R P41968 7/20 0.67
MC5R P33032 6/20 0.61
PRCP P42785 1/20 0.49

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
SCHEMBL31737049 0.90 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL91100 0.90 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL70501 0.90 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL4955821 0.90 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL63838 0.90 MC4R (0.82) MC4RMC3RMC5RPRCP
SCHEMBL5184726 0.90 MC4R (0.82) MC4RMC3RMC5RPRCP
Hydrochloric Acid SCHEMBL29603726 0.90 MC4R (0.81) MC4RMC3RMC5RPRCP
SCHEMBL13391278 0.85 MC4R (0.60) MC4RMC3RMC5RPRCP
SCHEMBL3112487 0.85 MC4R (0.60) MC4RMC3RMC5RPRCP
SCHEMBL3112500 0.85 MC4R (0.60) MC4RMC3RMC5RPRCP

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
WO-2007002462-A2 CRYSTALLINE FORMS OF MC4R AGONIST AND PROCESS FOR SYNTHESIS MERCK & CO., INC. (US) 2007-01-04 WO disclosed