SCHEMBL18649352

SCHEMBL18649352

CCc1ccc(-n2cnc(C)c2)c(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.48
PSEN2 P49810 20/20 0.48
APH1B Q8WW43 20/20 0.48
NCSTN Q92542 20/20 0.48
APH1A Q96BI3 20/20 0.48
PSENEN Q9NZ42 20/20 0.48
KCNH2 Q12809 6/20 0.48

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
SCHEMBL7921146 0.84 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18649314 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16923575 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9607092 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12141129 0.80 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127821 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22184931 0.78 HCAR1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16914028 0.77 TLR2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7838053 0.72 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3313126 0.72 PSEN1 (0.53) 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-9598437-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2017-03-21 US disclosed