SCHEMBL7937519

SCHEMBL7937519

N#Cc1ccc(Cc2ncc(CN(c3ccccc3Cl)C3CCNC3=O)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
BRS3 P32247 2/20 0.38
FNTA P49354 7/20 0.33
FNTB P49356 7/20 0.33
PGGT1B P53609 6/20 0.33
KCNH2 Q12809 2/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CCR5 P51681 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
EP300 Q09472 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL7927444 0.87 BRS3 (0.36) BRS3
SCHEMBL7927439 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937436 0.85 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937371 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7935741 0.81 FNTA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7841577 0.74 NOS2 (0.47) BRS3FNTAFNTBPGGT1BCCR5
SCHEMBL7927492 0.74 BRS3 (0.37) BRS3
SCHEMBL7927530 0.70 BRS3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936234 0.70 FNTA (0.64) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936786 0.69 DAO (0.38) 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 claimed