SCHEMBL1492947

SCHEMBL1492947

COc1cccc(C2(NC(=O)Nc3ccc(-c4ccnc(C)c4)cc3)CCCC2I)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.42
PSEN2 P49810 12/20 0.42
APH1B Q8WW43 12/20 0.42
NCSTN Q92542 12/20 0.42
APH1A Q96BI3 12/20 0.42
PSENEN Q9NZ42 12/20 0.42
PORCN Q9H237 2/20 0.40
CNR1 P21554 1/20 0.39
WNT3A P56704 3/20 0.38
ABL1 P00519 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL1492750 0.84 MAPK1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492721 0.74 MAPK1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492753 0.71 MAPK1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492828 0.71 MAPK1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492764 0.71 MAPK1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492899 0.70 MAPK1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492730 0.68 MAPK1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7955634 0.68 MAPK1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1493069 0.68 MAPK1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492843 0.67 NPC1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed