SCHEMBL29232139

SCHEMBL29232139

CC=Cc1ccc(C#N)c(N2CCN(Cc3nc4ccccc4n3C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.56
DRD4 P21917 11/20 0.54
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
CXCR3 P49682 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30163979 1.00 GRM2 (0.56) GRM2DRD4LMNAGAAPOLB
SCHEMBL30163997 0.88 GRM2 (0.55) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232141 0.88 GRM2 (0.55) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232254 0.85 GRM2 (0.59) GRM2DRD4LMNAGAAPOLB
SCHEMBL30164121 0.85 GRM2 (0.59) GRM2DRD4LMNAGAAPOLB
SCHEMBL30164102 0.83 LMNA (0.66) GRM2DRD4LMNAGAAPOLB
SCHEMBL29232373 0.83 LMNA (0.66) GRM2DRD4LMNAGAAPOLB
SCHEMBL24985352 0.81 GRM2 (0.54) GRM2DRD4LMNAGAAPOLB
SCHEMBL31185228 0.78 GRM2 (0.51) GRM2DRD4LMNAGAAPOLB
SCHEMBL24985354 0.78 GRM2 (0.51) 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
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