SCHEMBL22242553

SCHEMBL22242553

C=C1c2cc(C#Cc3ccccc3)ccc2C(=O)N1C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.54
APP P05067 1/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL83864 0.87 GRM5 (0.60) GRM5APP
SCHEMBL15326995 0.78 ALDH1A1 (0.53) GRM5APP
SCHEMBL23980507 0.76 APP (0.56) GRM5APP
SCHEMBL14326433 0.74 GRM5 (0.56) GRM5APP
SCHEMBL10262744 0.74 CASP3 (0.59) APPNR1H2NR1H3
SCHEMBL504644 0.74 GRM5 (0.60) GRM5
SCHEMBL16927161 0.73 GRM5 (0.54) GRM5
SCHEMBL14326160 0.73 GRM5 (0.63) GRM5
SCHEMBL7678431 0.73 ESR1 (0.58) GRM5NR1H3
SCHEMBL16927148 0.73 GRM5 (0.66) GRM5

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-2020149116-A1 IMIDE OLIGOMER, VARNISH, CURED PRODUCTS THEREOF, AND PREPREG AND FIBER-REINFORCED COMPOSITE MATERIAL USING THESE 株式会社カネカ 2020-07-23 WO disclosed