SCHEMBL24985245

SCHEMBL24985245

Cc1ccc(S)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.64
DRD4 P21917 12/20 0.63
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.55
GFER P55789 1/20 0.55
DRD2 P14416 5/20 0.52
DRD3 P35462 3/20 0.52
CXCR3 P49682 1/20 0.49

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
SCHEMBL30164120 0.82 LMNA (0.59) GRM2DRD4LMNAGAAPOLB
SCHEMBL4151427 0.81 GRM2 (0.76) GRM2DRD4LMNAGAAPOLB
SCHEMBL4147946 0.81 GRM2 (0.83) GRM2DRD4LMNAGAAPOLB
SCHEMBL4138550 0.81 GRM2 (0.77) GRM2DRD4LMNAGAAPOLB
SCHEMBL5156990 0.80 GRM2 (0.81) GRM2DRD4LMNAGAAPOLB
SCHEMBL31185393 0.79 GRM2 (0.54) GRM2DRD4LMNAGAAPOLB
SCHEMBL4143642 0.79 GRM2 (0.76) GRM2DRD4LMNAGAAPOLB
SCHEMBL4139885 0.78 GRM2 (1.00) GRM2DRD4LMNAGAAPOLB
SCHEMBL4138559 0.77 GRM2 (1.00) GRM2DRD4LMNAGAAPOLB
SCHEMBL4152680 0.76 GRM2 (0.71) GRM2DRD4LMNAGAAPOLB

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