SCHEMBL27809648

SCHEMBL27809648

COc1cc(NC(=O)Nc2ccc(-c3ccnc(C)c3)cc2)ccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.57
PSEN2 P49810 11/20 0.57
APH1B Q8WW43 11/20 0.57
NCSTN Q92542 11/20 0.57
APH1A Q96BI3 11/20 0.57
PSENEN Q9NZ42 11/20 0.57
PORCN Q9H237 2/20 0.49
WNT3A P56704 2/20 0.47
IDO1 P14902 1/20 0.46
CYP2D6 P10635 3/20 0.46
CNR1 P21554 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL27809664 0.84 GRM4 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830111 0.84 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492788 0.82 HTR2C (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492785 0.82 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492989 0.80 SMN1; SMN2 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492820 0.79 MAPT (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492843 0.78 NPC1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492969 0.78 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492687 0.78 PORCN (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1492881 0.77 PSEN1 (0.56) 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 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 claimed