SCHEMBL6852563

SCHEMBL6852563

COc1cc(C(=O)NCC2CCNCC2)ccc1-n1cnc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.60
PSEN2 P49810 9/20 0.60
APH1B Q8WW43 9/20 0.60
NCSTN Q92542 9/20 0.60
APH1A Q96BI3 9/20 0.60
PSENEN Q9NZ42 9/20 0.60
SUV39H2 Q9H5I1 2/20 0.50
BRD4 O60885 1/20 0.49
F10 P00742 1/20 0.47
HTR4 Q13639 2/20 0.46
ROCK2 O75116 1/20 0.45
TOP2A P11388 2/20 0.45
SMYD3 Q9H7B4 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL761094 0.92 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852561 0.90 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852850 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852620 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854971 0.84 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757626 0.84 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6855965 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854854 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758953 0.82 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852599 0.82 PSEN1 (0.56) 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