SCHEMBL29957892

SCHEMBL29957892

C[Si](C)(C)C#Cc1cncc(B(O)O)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.31
ENPP2 Q13822 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
SCHEMBL29955816 0.81 ENPP2 (0.32) GRM5ENPP2
SCHEMBL931865 0.81 ENPP2 (0.32) GRM5ENPP2
SCHEMBL22531723 0.80 GRM5 (0.38) GRM5
SCHEMBL9948434 0.77 GRM5 (0.35) GRM5ENPP2
SCHEMBL503406 0.76 GRM5 (0.33) GRM5
SCHEMBL29953287 0.75 ENPP2 (0.55) ENPP2
SCHEMBL9956785 0.75 GRM5 (0.50) GRM5
SCHEMBL2447287 0.73 ENPP2 (0.48) ENPP2
SCHEMBL31014678 0.73 GRM5 (0.34) GRM5
SCHEMBL248711 0.73 ENPP2 (0.52) ENPP2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed