SCHEMBL25564665

SCHEMBL25564665

N#C[C@@H](N)C[C@@H]1C(=O)Nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 10/20 0.63
▸ TDO2 P48775 4/20 0.63
▸ GSK3B P49841 2/20 0.51
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTR7 P34969 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
SCHEMBL20340898 0.81 IDO1 (0.67) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL9120585 0.79 IDO1 (0.63) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL20340870 0.79 IDO1 (0.63) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL5528789 0.78 IDO1 (1.00) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL31265741 0.78 IDO1 (1.00) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL24740358 0.78 IDO1 (1.00) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL5286855 0.78 IDO1 (1.00) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL1226606 0.78 IDO1 (1.00) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL31550888 0.78 IDO1 (1.00) IDO1TDO2GSK3BMAPTKDM4E
SCHEMBL9765123 0.78 IDO1 (0.58) IDO1TDO2GSK3BMAPTKDM4E

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-2023093834-A1 PYRROLIDINE ANTIVIRAL COMPOUND 先声再明医药有限公司 2023-06-01 — — WO disclosed
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