SCHEMBL24985228

SCHEMBL24985228

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRM2 Q14416 9/20 0.47
DRD4 P21917 6/20 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
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
FBP1 P09467 1/20 0.42
PPARG P37231 1/20 0.42
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
ALB P02768 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL30164061 1.00 LMNA (0.50) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30163934 0.89 GRM2 (0.52) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL24985229 0.89 GRM2 (0.52) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30164125 0.87 AGTR2 (0.54) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL29232389 0.87 AGTR2 (0.54) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL24985232 0.83 LMNA (0.51) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL30164120 0.80 LMNA (0.59) LMNAGAAALDH1A1NPSR1GRM2
SCHEMBL24985173 0.77 GRM2 (0.51) GRM2DRD4
SCHEMBL30164155 0.77 GRM2 (0.51) GRM2DRD4
SCHEMBL29232145 0.76 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 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