SCHEMBL6005317

SCHEMBL6005317

CN1C(=O)C(NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)N=C(c2ccc3c(c2)CCCC3=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.69
PSEN2 P49810 13/20 0.69
APH1B Q8WW43 13/20 0.69
NCSTN Q92542 13/20 0.69
APH1A Q96BI3 13/20 0.69
PSENEN Q9NZ42 13/20 0.69
SCN9A Q15858 1/20 0.48
CCKBR P32239 3/20 0.47
GSAP A4D1B5 1/20 0.47
NOTCH1 P46531 1/20 0.46
NOTCH3 Q9UM47 1/20 0.46

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
SCHEMBL7182508 0.88 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7097812 0.88 CCKBR (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7196020 0.87 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005228 0.82 CCKBR (0.68) SCN9ACCKBR
SCHEMBL6006725 0.82 CCKBR (0.68) SCN9ACCKBR
SCHEMBL6006715 0.82 CCKBR (0.68) SCN9ACCKBR
SCHEMBL6005417 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005982 0.81 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006110 0.81 SCN9A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006377 0.80 CCKBR (0.61) SCN9ACCKBR

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
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed