SCHEMBL7166290

SCHEMBL7166290

C[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1N=Cc2ccc(N3CCC(C(N)=O)CC3)cc2N(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.38
PSEN2 P49810 11/20 0.38
APH1B Q8WW43 11/20 0.38
NCSTN Q92542 11/20 0.38
APH1A Q96BI3 11/20 0.38
PSENEN Q9NZ42 11/20 0.38
RORC P51449 1/20 0.34
ENPP2 Q13822 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MC4R P32245 1/20 0.33
NOTUM Q6P988 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL7194424 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005111 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7169709 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7193823 0.79 PTGES (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7186767 0.72 CCKBR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005685 0.69 CCKBR (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7163053 0.69 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006644 0.69 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7171304 0.68 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7522401 0.67 NOTUM (0.67) ALDH1A1MAPTNOTUMGAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO disclosed