SCHEMBL21390300

SCHEMBL21390300

C=Cc1ccc2c(c1)c1c(-c3cccc4c3c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cccc1n2-c1cccc(-c2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GRM1 Q13255 1/20 0.32

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
SCHEMBL21390593 0.96 GRM1 (0.32) GRM1
SCHEMBL21390257 0.89 PDE10A (0.38) PDE10AGABRG2GABRB3GABRA5GABRA3
SCHEMBL21390589 0.89 KDM4E (0.32) GRM1
SCHEMBL21390590 0.88 KDM4E (0.32) GRM1
SCHEMBL24216130 0.85 ATM (0.37) PDE10AGABRG2GABRB3GABRA5GABRA3
SCHEMBL11998220 0.85 KDM4E (0.41) PDE10A
SCHEMBL21390598 0.84 KDM4E (0.38)
SCHEMBL21390625 0.84 KDM4E (0.31)
SCHEMBL16641538 0.84 PDE10A (0.34) PDE10AGABRG2GABRB3GABRA5GABRA3
SCHEMBL11998210 0.84 KDM4E (0.34) PDE10AGABRG2GABRB3GABRA5GABRA3

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed