SCHEMBL882888

SCHEMBL882888

CN(C=O)/C(N)=N\[C@H]1c2cc(-c3cccc(C#N)c3)ccc2O[C@H]2CCOC[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.43
CTSD P07339 6/20 0.43
CSNK1E P49674 2/20 0.33
RORC P51449 1/20 0.31
MCHR1 Q99705 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PAX8 Q06710 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
F2R P25116 1/20 0.30

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
SCHEMBL12299575 0.75 GPR88 (0.36) BACE1CTSDDPP4DPP8DPP9
SCHEMBL882560 0.74 BACE1 (0.37) BACE1
SCHEMBL7958731 0.73 FADS1 (0.37) BACE1CTSDMCHR1DPP4DPP8
SCHEMBL7962464 0.73 BACE1 (0.33) BACE1CTSD
SCHEMBL7891697 0.69 BACE1 (0.38) BACE1CTSD
SCHEMBL882893 0.69 BACE1 (0.36) BACE1CTSD
SCHEMBL882992 0.67 CTSD (0.31) BACE1CTSD
SCHEMBL12827653 0.67 BACE1 (0.40) BACE1DPP4DPP8DPP9DPP7
SCHEMBL882550 0.66 BACE1 (0.45) BACE1CTSD
SCHEMBL882648 0.66 BACE1 (0.35) BACE1CTSD

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
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 WO disclosed