SCHEMBL24985229

SCHEMBL24985229

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.52
DRD4 P21917 9/20 0.52
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
CXCR3 P49682 1/20 0.43
KDM4E B2RXH2 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL30163934 1.00 GRM2 (0.52) GRM2DRD4DRD2DRD3CXCR3
SCHEMBL24985228 0.89 LMNA (0.50) GRM2DRD4CXCR3KDM4EOPRM1
SCHEMBL30164061 0.89 LMNA (0.50) GRM2DRD4CXCR3KDM4EOPRM1
SCHEMBL30164155 0.88 GRM2 (0.51) GRM2DRD4DRD2DRD3
SCHEMBL24985173 0.88 GRM2 (0.51) GRM2DRD4DRD2DRD3
SCHEMBL29232145 0.86 GRM2 (0.54) GRM2DRD4DRD2DRD3CXCR3
SCHEMBL30164146 0.86 GRM2 (0.54) GRM2DRD4DRD2DRD3CXCR3
SCHEMBL30164034 0.81 GRM2 (0.64) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL30164125 0.77 AGTR2 (0.54) GRM2LMNAGAAALDH1A1NPSR1
SCHEMBL29232389 0.77 AGTR2 (0.54) GRM2LMNAGAAALDH1A1NPSR1

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 2 patents. 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
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