SCHEMBL27809668

SCHEMBL27809668

COc1cccc(C2(CNC(=O)Nc3ccc(-c4ccnc(C)c4)cc3)CCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.55
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49
WNT3A P56704 3/20 0.49
SOAT1 P35610 3/20 0.47
ALDH1A1 P00352 1/20 0.47
PORCN Q9H237 1/20 0.46
ROCK1 Q13464 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 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
SCHEMBL1492774 0.88 WNT3A (0.54) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1492842 0.86 WNT3A (0.54) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1492808 0.83 CNR1 (0.59) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1492900 0.83 WNT3A (0.48) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1492669 0.82 PSEN1 (0.49) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1492752 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492836 0.79 MAPK1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492843 0.79 NPC1 (0.64) ROCK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1492943 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492960 0.78 CNR1 (0.66) ROCK2PSEN1PSEN2APH1BNCSTN

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
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN claimed
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed