SCHEMBL18914539

SCHEMBL18914539

CC(C)n1ccnc1NC(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 11/20 0.48
MC4R P32245 5/20 0.45
KCNH2 Q12809 1/20 0.44
PRCP P42785 4/20 0.40

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
SCHEMBL18914492 0.90 MC1R (0.47) MC1RMC4RKCNH2PRCP
SCHEMBL18914380 0.74 MC1R (0.63) MC1RMC4RKCNH2PRCP
SCHEMBL18914381 0.74 MC1R (0.63) MC1RMC4RKCNH2PRCP
SCHEMBL5675788 0.73 MC4R (0.51) MC1RMC4RKCNH2PRCP
SCHEMBL18914537 0.73 MC1R (0.51) MC1RMC4RKCNH2
Hydrochloric Acid SCHEMBL1920434 0.71 MC4R (0.51) MC4RKCNH2
SCHEMBL1920424 0.71 MC4R (0.54) MC4RKCNH2PRCP
SCHEMBL12533727 0.71 MC4R (0.54) MC4RKCNH2PRCP
SCHEMBL29327388 0.71 MC4R (0.54) MC4RKCNH2PRCP
SCHEMBL1921102 0.71 MC4R (0.54) MC4RKCNH2PRCP

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-2017090743-A1 NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2017-06-01 WO disclosed