SCHEMBL24985409

SCHEMBL24985409

CC(C)Cc1ccc(C(=N)N)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.53
DRD4 P21917 10/20 0.52
KDM4E B2RXH2 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
CXCR3 P49682 1/20 0.47
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL24984206 0.89 GRM2 (0.55) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24985379 0.85 LMNA (0.53) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24984230 0.84 GRM2 (0.67) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24984225 0.83 LMNA (0.64) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24986937 0.83 GRM2 (0.64) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24985352 0.83 GRM2 (0.54) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24985451 0.82 LMNA (0.54) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24985411 0.79 GRM2 (0.50) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL31185267 0.79 GRM2 (0.50) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL24985188 0.76 LMNA (0.54) GRM2DRD4KDM4EOPRM1OPRD1

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