SCHEMBL27791471

SCHEMBL27791471

[N-]=[N+]=NC(=CCCc1cc(CCc2ccccc2)co1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 4/20 0.40
▸ GPR52 Q9Y2T5 8/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL27812643 0.92 IDH1 (0.35) DAOGPR52GRIK1IDH1
SCHEMBL28133636 0.84 GRIK1 (0.46) GPR52GRIK1SMN1; SMN2FFAR1
SCHEMBL27791502 0.79 CTSL (0.37) GRIK1
SCHEMBL28159929 0.78 ALDH1A1 (0.36) GPR52SMN1; SMN2
SCHEMBL28847179 0.72 GPR52 (0.43) GPR52GRIK1FFAR1
SCHEMBL28159928 0.72 GRIK1 (0.37) GRIK1SMN1; SMN2
SCHEMBL28847240 0.71 CTBP2 (0.47) GPR52
SCHEMBL28159931 0.70 GPR52 (0.47) GPR52FFAR1
SCHEMBL28129210 0.69 FFAR1 (0.44) GPR52SMN1; SMN2FFAR1
SCHEMBL27833451 0.69 TRPV1 (0.41) —

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-101820760-A Condensed hetero ring SEPRACOR INC 2010-09-01 — — CN disclosed
Send feedback