SCHEMBL7937436

SCHEMBL7937436

N#Cc1ccc(Cc2ncc(CN(c3cccc(Cl)c3)C3CCNC3=O)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
FNTA P49354 6/20 0.37
FNTB P49356 6/20 0.37
PGGT1B P53609 4/20 0.37
BRS3 P32247 2/20 0.35
KCNH2 Q12809 3/20 0.35
CCR5 P51681 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7927439 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937519 0.85 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937371 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7935741 0.79 FNTA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936730 0.78 FNTA (0.56) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936786 0.77 DAO (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939460 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933752 0.75 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933783 0.73 FNTA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7841577 0.73 NOS2 (0.47) FNTAFNTBPGGT1BBRS3CCR5

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed