SCHEMBL30513853

SCHEMBL30513853

CC(C)(C)OC(=O)N1CC=C(c2cccc(OCc3nc4ccccc4o3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 10/20 0.47
▸ GRM5 P41594 10/20 0.47
▸ PDK4 Q16654 1/20 0.45
▸ PDE10A Q9Y233 2/20 0.43
▸ GPR119 Q8TDV5 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ EED O75530 1/20 0.40
▸ RBBP4 Q09028 1/20 0.40
▸ SUZ12 Q15022 1/20 0.40
▸ EZH2 Q15910 1/20 0.40
▸ SCN9A Q15858 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
SCHEMBL29518255 0.84 GRM1 (0.56) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL15146264 0.84 GRM1 (0.56) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL25952378 0.81 GRM1 (0.48) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL31288575 0.81 GRM1 (0.57) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL16422787 0.81 GRM1 (0.57) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL7837556 0.79 GRM1 (0.53) GRM1GRM5PDK4PDE10ANAMPT
SCHEMBL30308912 0.78 GRM1 (0.64) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL25292398 0.78 GRM1 (0.47) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL29393087 0.78 GRM1 (0.47) GRM1GRM5PDK4PDE10AGPR119
SCHEMBL24321526 0.77 GRM1 (0.49) GRM1GRM5PDK4GPR119

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-113816948-B Condensed imidazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-08-11 — — CN disclosed
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