SCHEMBL6853884

SCHEMBL6853884

COc1cc(C(=O)NC2CCCN(Cc3ccccc3)C2)ccc1-n1cnc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.59
PSEN2 P49810 6/20 0.59
APH1B Q8WW43 6/20 0.59
NCSTN Q92542 6/20 0.59
APH1A Q96BI3 6/20 0.59
PSENEN Q9NZ42 6/20 0.59
DRD2 P14416 3/20 0.55
DRD4 P21917 3/20 0.55
DRD3 P35462 2/20 0.55
MCHR1 Q99705 4/20 0.54
LDLR P01130 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL6853428 0.93 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853394 0.93 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853587 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24913732 0.92 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854966 0.91 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853648 0.90 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853583 0.90 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853933 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854642 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854094 0.88 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