SCHEMBL24986940

SCHEMBL24986940

Cn1c(CN2CCN(c3cc(C(F)(F)F)ccc3-c3nn[nH]n3)CC2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.60
DRD4 P21917 11/20 0.60
DRD2 P14416 4/20 0.54
DRD3 P35462 3/20 0.54
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL31185375 1.00 GRM2 (0.60) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL31185393 0.88 GRM2 (0.54) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL31185404 0.86 GRM2 (0.62) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL24984229 0.86 GRM2 (0.62) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL24984224 0.85 LMNA (0.60) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL24984211 0.85 GRM2 (0.52) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL31185410 0.85 GRM2 (0.52) GRM2DRD4KDM4EOPRM1OPRD1
SCHEMBL30164048 0.85 LMNA (0.60) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL31185228 0.84 GRM2 (0.51) GRM2DRD4DRD2DRD3KDM4E
SCHEMBL24985354 0.84 GRM2 (0.51) GRM2DRD4DRD2DRD3KDM4E

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