SCHEMBL24985243

SCHEMBL24985243

CCCCOC(=O)NSc1ccc(C)cc1N1CCN(Cc2nc3ccccc3n2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.47
DRD4 P21917 6/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
CXCR3 P49682 1/20 0.45
KDM4E B2RXH2 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 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
SCHEMBL29232389 0.84 AGTR2 (0.54) GRM2LMNAGAAALDH1A1NPSR1
SCHEMBL30164125 0.84 AGTR2 (0.54) GRM2LMNAGAAALDH1A1NPSR1
SCHEMBL24985232 0.76 LMNA (0.51) GRM2DRD4LMNAMAPTGFER
SCHEMBL30164155 0.74 GRM2 (0.51) GRM2DRD4
SCHEMBL24985173 0.74 GRM2 (0.51) GRM2DRD4
SCHEMBL24985228 0.73 LMNA (0.50) GRM2DRD4LMNAMAPTGFER
SCHEMBL30164061 0.73 LMNA (0.50) GRM2DRD4LMNAMAPTGFER
SCHEMBL24985245 0.73 GRM2 (0.64) GRM2DRD4LMNAMAPTGFER
SCHEMBL30164120 0.71 LMNA (0.59) GRM2DRD4LMNAMAPTGFER
SCHEMBL29232148 0.70 GRM2 (0.68) GRM2DRD4LMNAMAPTGFER

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