SCHEMBL7933816

SCHEMBL7933816

COc1ccc(C#N)c(Cc2ncc(CN(Cc3cccc(Cl)c3)C3CCNC3=O)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
NOS2 P35228 5/20 0.34
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NOS1 P29475 4/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 3/20 0.33
GRIN1 Q05586 2/20 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
Hydrochloric Acid SCHEMBL7927499 0.91 NR3C1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936751 0.91 FNTA (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939460 0.89 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933752 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936786 0.84 DAO (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933783 0.83 FNTA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7927511 0.80 FNTA (0.45)
SCHEMBL7927530 0.80 BRS3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7927492 0.77 BRS3 (0.37) NOS2SLC6A4PGRNOS1NOS3
SCHEMBL7939467 0.76 PSEN1 (0.39) 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
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed