SCHEMBL29952740

SCHEMBL29952740

Nc1ncc(C#Cc2ccccc2)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.42
ERN1 O75460 1/20 0.40
MAPT P10636 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
APP P05067 1/20 0.39
GRM4 Q14833 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL23756878 0.76 HTT (0.55)
SCHEMBL1644262 0.75 GRM5 (0.48) GRM5MAPTPDGFRBPDGFRAAPP
SCHEMBL16598517 0.75 ADK (0.47) GRM5MAPTPDGFRBPDGFRAAPP
SCHEMBL14276837 0.75 MAP4K4 (0.49) MAPT
SCHEMBL23283107 0.75 GRM5 (0.49) GRM5MAPTPDGFRBPDGFRAAPP
SCHEMBL29955261 0.75 MAP4K4 (0.49) MAPT
SCHEMBL18615838 0.73 MAP4K4 (0.51) MAPT
SCHEMBL22898349 0.72 APP (0.48) GRM5ERN1MAPTAPP
SCHEMBL10623779 0.70 APP (0.50) GRM5ERN1MAPTAPP
SCHEMBL28536669 0.69 FFAR1 (0.47) GRM5MAPTAPP

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