SCHEMBL28855359

SCHEMBL28855359

Cc1c(Br)ccc2c1nnn2CCCCCO

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.48
CSNK2A2 P19784 3/20 0.42
CSNK2B P67870 3/20 0.42
CSNK2A1 P68400 3/20 0.42
CSNK2A3 Q8NEV1 3/20 0.42
SLC9A1 P19634 4/20 0.38
HCAR3 P49019 2/20 0.35
MPO P05164 1/20 0.34
PRPS1 P60891 1/20 0.33

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
SCHEMBL29901109 1.00 GRM2 (0.48) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL24296919 0.99 GRM2 (0.49) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL22032162 0.94 GRM2 (0.50) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29901061 0.88 GRM2 (0.48) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL28855618 0.88 GRM2 (0.48) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29901095 0.81 GRM2 (0.42) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL28855387 0.81 GRM2 (0.42) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL28855465 0.80 GRM2 (0.42) GRM2SLC9A1HCAR3
SCHEMBL31305976 0.78 GRM2 (0.46) GRM2SLC9A1HCAR3
SCHEMBL22085849 0.78 GRM2 (0.37) GRM2CSNK2A2CSNK2BCSNK2A1CSNK2A3

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