SCHEMBL6853647

SCHEMBL6853647

COc1cc(C(=O)NC2CCCN(C(=O)NCCc3ccc(Cl)cc3)C2)ccc1-n1cnc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.71
PSEN2 P49810 7/20 0.71
APH1B Q8WW43 7/20 0.71
NCSTN Q92542 7/20 0.71
APH1A Q96BI3 7/20 0.71
PSENEN Q9NZ42 7/20 0.71
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MCHR1 Q99705 1/20 0.42
F10 P00742 1/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL6853842 0.93 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853432 0.93 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853708 0.89 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853391 0.88 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853651 0.86 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853395 0.85 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758934 0.84 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853839 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853701 0.83 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853677 0.83 PSEN1 (0.57) 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