SCHEMBL6854498

SCHEMBL6854498

COc1cc(C(=O)N[C@@H]2CNCC[C@@H]2OC)ccc1-n1cnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.52
PSEN2 P49810 18/20 0.52
APH1B Q8WW43 18/20 0.52
NCSTN Q92542 18/20 0.52
APH1A Q96BI3 18/20 0.52
PSENEN Q9NZ42 18/20 0.52
KCNH2 Q12809 4/20 0.41
PRKCE Q02156 1/20 0.41
HTR3A P46098 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL6852599 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852850 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854098 0.85 MAPK1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852855 0.85 MAPK1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854859 0.80 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852563 0.79 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852561 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852870 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852708 0.78 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761036 0.77 PSEN1 (0.60) 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