SCHEMBL15214732

SCHEMBL15214732

COc1cc(Nc2cc(C3CC3)cn([C@@H](CO)c3ccc(S(F)(F)(F)(F)F)cc3)c2=O)ccc1-n1cnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.52
PSEN2 P49810 20/20 0.52
APH1B Q8WW43 20/20 0.52
NCSTN Q92542 20/20 0.52
APH1A Q96BI3 20/20 0.52
PSENEN Q9NZ42 20/20 0.52

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
SCHEMBL8083881 0.92 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083890 0.91 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214730 0.91 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083988 0.89 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8080834 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214753 0.88 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8082156 0.87 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8077422 0.86 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214772 0.86 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079096 0.84 PSEN1 (0.54) 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
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed