SCHEMBL24985352

SCHEMBL24985352

C/C=C/c1ccc(C(=N)N)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.54
DRD4 P21917 11/20 0.52
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
CXCR3 P49682 1/20 0.45
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL24984230 0.87 GRM2 (0.67) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24984206 0.84 GRM2 (0.55) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24984225 0.84 LMNA (0.64) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24986937 0.83 GRM2 (0.64) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24985409 0.83 GRM2 (0.53) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24985451 0.83 LMNA (0.54) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24985379 0.82 LMNA (0.53) GRM2DRD4LMNAGAAKDM4E
SCHEMBL30163979 0.81 GRM2 (0.56) GRM2DRD4LMNAGAAKDM4E
SCHEMBL29232139 0.81 GRM2 (0.56) GRM2DRD4LMNAGAAKDM4E
SCHEMBL24985354 0.79 GRM2 (0.51) GRM2DRD4LMNAGAAKDM4E

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