SCHEMBL24985232

SCHEMBL24985232

CCCCOCNS(=O)(=O)c1ccc(C)cc1N1CCN(Cc2nc3ccccc3n2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRM2 Q14416 11/20 0.48
DRD4 P21917 8/20 0.47
MAPT P10636 2/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43

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 0.87 AGTR2 (0.54) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30164125 0.87 AGTR2 (0.54) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30164061 0.83 LMNA (0.50) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL24985228 0.83 LMNA (0.50) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30164120 0.81 LMNA (0.59) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL24985173 0.76 GRM2 (0.51) GRM2DRD4DRD2DRD3
SCHEMBL30164155 0.76 GRM2 (0.51) GRM2DRD4DRD2DRD3
SCHEMBL24985243 0.76 GRM2 (0.47) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL24985245 0.74 GRM2 (0.64) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30164146 0.72 GRM2 (0.54) LMNAGAAALDH1A1NPSR1GRM2

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