SCHEMBL20828481

SCHEMBL20828481

Cc1cc(CN(C)C)ccc1C(=O)Nc1ccc(-c2nnc(COc3cccc(C(F)(F)F)c3)n2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.45
▸ DGAT1 O75907 6/20 0.41
▸ BRAF P15056 2/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ GRK2 P25098 2/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ CETP P11597 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38

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
SCHEMBL20828478 0.91 FFAR1 (0.45) FFAR1DGAT1RAF1MAPK14ROCK2
SCHEMBL22227863 0.83 PPARG (0.48) FFAR1DGAT1ROCK2GRK2CETP
SCHEMBL20828451 0.82 BRAF (0.44) BRAFRAF1MAPK14ROCK2GRK2
SCHEMBL20828420 0.81 DGAT1 (0.47) DGAT1ROCK2RAB9A
SCHEMBL20828341 0.81 DGAT1 (0.48) DGAT1ROCK2RAB9A
SCHEMBL20820816 0.80 HIF1A (0.45) FFAR1DGAT1ROCK2GRK2RAB9A
SCHEMBL20828340 0.79 BRAF (0.46) DGAT1BRAFRAF1MAPK14ROCK2
SCHEMBL20832631 0.79 MAOA (0.44) FFAR1DGAT1ROCK2GRK2CETP
SCHEMBL20828417 0.78 ROCK2 (0.46) DGAT1MAPK14ROCK2RAB9A
SCHEMBL20828419 0.77 L3MBTL1 (0.42) FFAR1ROCK2GRK2CETPRAB9A

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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