SCHEMBL20159287

SCHEMBL20159287

CC(N)C1CN(c2cnnc(Cl)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.34
APP P05067 1/20 0.34
CHRNB4 P30926 6/20 0.33
CHRNA3 P32297 6/20 0.33
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
SSTR5 P35346 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32

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
SCHEMBL20031689 0.76 PSEN1 (0.39) HRH4APPCHRNB4CHRNA3CHRNB2
SCHEMBL20609183 0.76 PSEN1 (0.39) HRH4APPCHRNB4CHRNA3CHRNB2
SCHEMBL20609186 0.76 PSEN1 (0.39) HRH4APPCHRNB4CHRNA3CHRNB2
SCHEMBL23902357 0.76 PSEN1 (0.39) HRH4APPCHRNB4CHRNA3CHRNB2
SCHEMBL18971038 0.76 PSEN1 (0.39) HRH4APPCHRNB4CHRNA3CHRNB2
SCHEMBL23504818 0.76 CHRNA3 (0.36) APPCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30962045 0.73 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22970966 0.71 CHRNB2 (0.42) HRH4CHRNB2CHRNA4PSEN1PSEN2
SCHEMBL1588132 0.70 HRH4 (0.52) HRH4
SCHEMBL29829405 0.70 APP (0.34) HRH4APPPSEN1PSEN2APH1B

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-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed