SCHEMBL20828418

SCHEMBL20828418

CN(C)Cc1ccc(C(=O)Nc2ccc(-c3nnc(COc4ccc(F)c(Cl)c4)n3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ PPARG P37231 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ SNCA P37840 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL20828420 0.87 DGAT1 (0.47) DGAT1SLC2A1ROCK2MEN1KMT2A
SCHEMBL20828341 0.85 DGAT1 (0.48) DGAT1SLC2A1ROCK2MEN1KMT2A
SCHEMBL20828421 0.84 SCD (0.43) DGAT1SLC2A1ROCK2MEN1KMT2A
SCHEMBL20828417 0.82 ROCK2 (0.46) DGAT1SLC2A1ROCK2MEN1KMT2A
SCHEMBL20820817 0.79 DGAT1 (0.50) DGAT1SLC2A1ROCK2
SCHEMBL20828340 0.78 BRAF (0.46) DGAT1ROCK2
SCHEMBL20828481 0.75 FFAR1 (0.45) DGAT1PTGDR2ROCK2
SCHEMBL20828342 0.75 DGAT1 (0.58) DGAT1SLC2A1MEN1KMT2A
SCHEMBL20828403 0.75 DGAT1 (0.41) DGAT1ROCK2
SCHEMBL20828451 0.73 BRAF (0.44) SLC2A1PPARGF10KLKB1ROCK2

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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