SCHEMBL28425546

SCHEMBL28425546

Cc1cc(N2CC3CC[C@@H](C2)[C@H]3N)cnn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
APP P05067 1/20 0.40
CHRNB2 P17787 5/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA4 P43681 5/20 0.35
HRH4 Q9H3N8 11/20 0.34

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
SCHEMBL22111574 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23923652 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23923655 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23923654 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20609183 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20609186 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23902357 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18971038 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20031689 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21374330 0.82 APP (0.41) 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
CN-111417636-A Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2020-07-14 CN disclosed