SCHEMBL6853649

SCHEMBL6853649

COc1nc(C(=O)N[C@@H]2CNCC[C@H]2O)ccc1-n1cnc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
PSEN1 P49768 16/20 0.39
PSEN2 P49810 16/20 0.39
APH1B Q8WW43 16/20 0.39
NCSTN Q92542 16/20 0.39
APH1A Q96BI3 16/20 0.39
PSENEN Q9NZ42 16/20 0.39
CYP2C19 P33261 3/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.36
CYP2C9 P11712 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
SCHEMBL6854867 0.85 NPC1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852609 0.81 NPC1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155825 0.77 P2RX7 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852506 0.76 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL194977 0.76 P2RX7 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9224077 0.76 MEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920437 0.76 USP30 (0.43) CNR2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL18527128 0.75 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL194790 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL194967 0.74 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed