SCHEMBL360429

SCHEMBL360429

N#Cc1ccc(N)cc1OCCCCNc1nc(Cl)nc2c1CCC2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.37
BCHE P06276 10/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
UGT1A1 P22309 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
MAOB P27338 2/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10356082 0.90 KDM4E (0.39) ACHEBCHEPSEN1PSEN2APH1B
SCHEMBL361143 0.86 ALDH1A1 (0.35) ACHEBCHEPSEN1PSEN2APH1B
SCHEMBL10352841 0.86 UGT1A1 (0.33) UGT1A1KCNH2SLCO1B1
SCHEMBL363490 0.84 CYP3A4 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15450622 0.82 GPR6 (0.30)
SCHEMBL362725 0.82 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL363539 0.81 CYP3A4 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL369277 0.80 UGT1A1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10279844 0.79 CASR (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10279542 0.79 SLC6A4 (0.34)

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
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed