SCHEMBL1492890

SCHEMBL1492890

COc1cnc2ccc(CCNC(=O)Nc3ccc(-c4ccnc(C)c4)cc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 6/20 0.47
ROCK2 O75116 4/20 0.46
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
FPR2 P25090 4/20 0.45
CNR1 P21554 3/20 0.45
ROCK1 Q13464 2/20 0.45
PORCN Q9H237 1/20 0.44

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
SCHEMBL1492756 0.86 FPR2 (0.61) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492673 0.84 WNT3A (0.52) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492960 0.83 CNR1 (0.66) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492661 0.83 WNT3A (0.57) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492739 0.82 ROCK2 (0.53) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492799 0.82 PRMT3 (0.59) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492949 0.81 WNT3A (0.50) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1493021 0.80 CNR1 (0.60) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL7967030 0.79 ROCK2 (0.52) WNT3AROCK2PSEN1PSEN2APH1B
SCHEMBL1492889 0.79 ROCK2 (0.52) WNT3AROCK2PSEN1PSEN2APH1B

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