SCHEMBL27809676

SCHEMBL27809676

Cc1cc(-c2ccc(NC(=O)NC3(c4ccc(Cl)cc4)CCC3)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.58
PSEN1 P49768 6/20 0.49
PSEN2 P49810 6/20 0.49
APH1B Q8WW43 6/20 0.49
NCSTN Q92542 6/20 0.49
APH1A Q96BI3 6/20 0.49
PSENEN Q9NZ42 6/20 0.49
CNR1 P21554 3/20 0.47
WNT3A P56704 1/20 0.44
PORCN Q9H237 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL1492940 0.90 MAPK1 (0.51) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL7955634 0.89 MAPK1 (0.57) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492833 0.88 PSEN1 (0.49) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492707 0.87 MAPK1 (0.59) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492811 0.87 MAPK1 (0.58) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492735 0.87 PSEN1 (0.54) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492906 0.87 PSEN1 (0.48) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492914 0.87 MAPK1 (0.58) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492730 0.86 MAPK1 (0.60) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1492726 0.83 PSEN1 (0.47) MAPK1PSEN1PSEN2APH1BNCSTN

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