SCHEMBL20820816

SCHEMBL20820816

Cn1c(COc2cccc(C(F)(F)F)c2)nnc1-c1ccc(NC(=O)c2ccc(CN3CC(O)C3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.45
▸ EPAS1 Q99814 8/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ FGFR1 P11362 1/20 0.43
▸ DDR2 Q16832 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ DGAT1 O75907 1/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ GRK2 P25098 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42

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
SCHEMBL22227863 0.82 PPARG (0.48) FFAR1DGAT1ROCK2GRK2
SCHEMBL20828478 0.81 FFAR1 (0.45) RAB9AFFAR1DGAT1ROCK2GRK2
SCHEMBL20828423 0.80 DGAT1 (0.44) RAB9ADGAT1ROCK2GRK2
SCHEMBL20828481 0.80 FFAR1 (0.45) RAB9AFFAR1DGAT1ROCK2GRK2
SCHEMBL20828416 0.79 DGAT1 (0.45) RAB9ADGAT1ROCK2GRK2
SCHEMBL20832631 0.78 MAOA (0.44) FFAR1DGAT1ROCK2GRK2
SCHEMBL20828479 0.78 F10 (0.48) KDM4E
SCHEMBL20828419 0.78 L3MBTL1 (0.42) RAB9AFFAR1ROCK2GRK2
SCHEMBL20828529 0.77 HIF1A (0.46) HIF1AEPAS1RAB9APDGFRAS1PR1
SCHEMBL20828341 0.75 DGAT1 (0.48) RAB9ADGAT1ROCK2KDM4EOPRD1

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 2 patents. 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
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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