SCHEMBL29901097

SCHEMBL29901097

Cc1cccc2c1nnn2CCCCO

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.51
SLC9A1 P19634 6/20 0.44
TLR8 Q9NR97 1/20 0.40
NPC1 O15118 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
MPO P05164 2/20 0.37

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
SCHEMBL29901094 0.85 GRM2 (0.55) GRM2SLC9A1TLR8NPC1
SCHEMBL19911456 0.84 GRM2 (0.70) GRM2SLC9A1TLR8NPC1
SCHEMBL4233106 0.84 GRM2 (0.49) GRM2SLC9A1NPC1
SCHEMBL17291776 0.81 GRM2 (0.43) GRM2SLC9A1NPC1
SCHEMBL19911457 0.81 GRM2 (0.69) GRM2SLC9A1TLR8NPC1
SCHEMBL30643299 0.78 GRM2 (0.48) GRM2SLC9A1TLR8NPC1
SCHEMBL17828279 0.77 GRM2 (0.67) GRM2SLC9A1TLR8NPC1
SCHEMBL30620226 0.77 GRM2 (0.48) GRM2SLC9A1NPC1
SCHEMBL24296919 0.77 GRM2 (0.49) GRM2SLC9A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL974069 0.77 GRM2 (0.40) GRM2NPC1

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-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed