SCHEMBL18914537

SCHEMBL18914537

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 12/20 0.51
MC4R P32245 6/20 0.40
TACR1 P25103 1/20 0.37
MC5R P33032 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL18914422 0.88 MC1R (0.49) MC1RMC4RTACR1USP30PDE4B
SCHEMBL18914417 0.76 PDE4B (0.59) MC1RMC4RTACR1MC5RKCNH2
SCHEMBL13525795 0.76 PDE4B (0.59) MC1RMC4RTACR1MC5RKCNH2
SCHEMBL3968947 0.76 MC4R (0.50) MC1RMC4RTACR1MC5RKCNH2
SCHEMBL1267149 0.76 MC4R (0.50) MC1RMC4RTACR1MC5RKCNH2
SCHEMBL13493029 0.76 MC4R (0.50) MC1RMC4RTACR1MC5RKCNH2
SCHEMBL1920145 0.75 TACR1 (0.46) MC1RMC4RTACR1MC5RKCNH2
SCHEMBL23168835 0.73 MC1R (0.71) MC1RMC4R
SCHEMBL18914419 0.73 MC1R (0.71) MC1RMC4R
SCHEMBL18914539 0.73 MC1R (0.48) MC1RMC4RKCNH2

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