SCHEMBL29232145

SCHEMBL29232145

CCOC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1N1CCN(Cc2nc3ccccc3n2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.54
DRD4 P21917 8/20 0.54
DRD2 P14416 4/20 0.49
DRD3 P35462 2/20 0.49
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
CXCR3 P49682 1/20 0.45
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL30164146 1.00 GRM2 (0.54) GRM2DRD4DRD2DRD3ALDH1A1
SCHEMBL30164155 0.93 GRM2 (0.51) GRM2DRD4DRD2DRD3
SCHEMBL24985173 0.93 GRM2 (0.51) GRM2DRD4DRD2DRD3
SCHEMBL30163934 0.86 GRM2 (0.52) GRM2DRD4DRD2DRD3ALDH1A1
SCHEMBL24985229 0.86 GRM2 (0.52) GRM2DRD4DRD2DRD3ALDH1A1
SCHEMBL29232389 0.83 AGTR2 (0.54) GRM2ALDH1A1NPSR1LMNAGAA
SCHEMBL30164125 0.83 AGTR2 (0.54) GRM2ALDH1A1NPSR1LMNAGAA
SCHEMBL30164034 0.83 GRM2 (0.64) GRM2DRD4DRD2DRD3ALDH1A1
SCHEMBL24985228 0.76 LMNA (0.50) GRM2DRD4ALDH1A1NPSR1LMNA
SCHEMBL30164061 0.76 LMNA (0.50) GRM2DRD4ALDH1A1NPSR1LMNA

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
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed