SCHEMBL24985453

SCHEMBL24985453

CCOc1ccc(-c2nn[nH]n2)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
GRM2 Q14416 12/20 0.50
DRD4 P21917 9/20 0.49
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
RAB9A P51151 1/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL31185293 1.00 LMNA (0.51) LMNAMAPTGFERGRM2DRD4
SCHEMBL30164048 0.91 LMNA (0.60) LMNAMAPTGFERGRM2DRD4
SCHEMBL24984224 0.91 LMNA (0.60) LMNAMAPTGFERGRM2DRD4
SCHEMBL24985380 0.89 LMNA (0.50) LMNAMAPTGFERGRM2DRD4
SCHEMBL30164161 0.89 LMNA (0.50) LMNAMAPTGFERGRM2DRD4
SCHEMBL31185393 0.87 GRM2 (0.54) LMNAMAPTGFERGRM2DRD4
SCHEMBL24984211 0.86 GRM2 (0.52) LMNAMAPTGFERGRM2DRD4
SCHEMBL31185410 0.86 GRM2 (0.52) LMNAMAPTGFERGRM2DRD4
SCHEMBL24984229 0.86 GRM2 (0.62) LMNAMAPTGFERGRM2DRD4
SCHEMBL31185404 0.86 GRM2 (0.62) 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