SCHEMBL13141747

SCHEMBL13141747

C[C@@H]1CCC[C@H](Nc2ncc(C(=O)NCC3CCOCC3)c(C(F)(F)F)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 19/20 0.61
▸ CYP1A2 P05177 6/20 0.61
▸ CYP2C19 P33261 6/20 0.61
▸ CYP2D6 P10635 4/20 0.61
▸ CYP2C9 P11712 7/20 0.60
▸ CYP3A4 P08684 6/20 0.60
▸ FLT3 P36888 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ MERTK Q12866 1/20 0.46
▸ GAS6 Q14393 1/20 0.46

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
SCHEMBL10145329 0.81 LRRK2 (0.44) CNR2
SCHEMBL541605 0.79 CNR2 (0.62) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL541606 0.79 CNR2 (0.62) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL541562 0.77 CNR2 (0.64) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL13503371 0.77 CNR2 (0.79) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL13069958 0.77 CNR2 (0.80) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL6061291 0.77 CNR2 (0.73) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL14307828 0.76 CNR2 (0.64) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL4419263 0.76 CNR2 (0.82) CNR2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL13069959 0.76 CNR2 (1.00) CNR2CYP1A2CYP2C19CYP2D6CYP2C9

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-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 — — WO disclosed
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