SCHEMBL24985451

SCHEMBL24985451

CCOc1ccc(C(=N)N)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
GRM2 Q14416 13/20 0.53
DRD4 P21917 9/20 0.52
KDM4E B2RXH2 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
CXCR3 P49682 1/20 0.45

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
SCHEMBL24984225 0.91 LMNA (0.64) LMNAMAPTGFERGRM2DRD4
SCHEMBL24985379 0.88 LMNA (0.53) LMNAMAPTGFERGRM2DRD4
SCHEMBL24984206 0.85 GRM2 (0.55) LMNAMAPTGFERGRM2DRD4
SCHEMBL24984230 0.84 GRM2 (0.67) LMNAMAPTGFERGRM2DRD4
SCHEMBL24985352 0.83 GRM2 (0.54) LMNAMAPTGFERGRM2DRD4
SCHEMBL24986937 0.83 GRM2 (0.64) LMNAMAPTGFERGRM2DRD4
SCHEMBL24985409 0.82 GRM2 (0.53) LMNAMAPTGFERGRM2DRD4
SCHEMBL24985188 0.80 LMNA (0.54) LMNAMAPTGFERGRM2DRD4
SCHEMBL24985453 0.79 LMNA (0.51) LMNAMAPTGFERGRM2DRD4
SCHEMBL31185293 0.79 LMNA (0.51) LMNAMAPTGFERGRM2DRD4

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
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed