SCHEMBL24890833

SCHEMBL24890833

C=CCC(O)[C@H](C)[C@H](C)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CYP2C19 P33261 1/20 0.30
CPA1 P15085 1/20 0.30

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
SCHEMBL3337869 0.89 TSHR (0.34) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL20189756 0.89 TSHR (0.34) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL22034873 0.74 TSHR (0.32) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL22034874 0.74 TSHR (0.32) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL22031610 0.74
SCHEMBL22031609 0.74
SCHEMBL29800143 0.74
SCHEMBL22034841 0.73 GRIK1 (0.33) TSHRGRIK1GRIK2
SCHEMBL22034842 0.73 GRIK1 (0.33) TSHRGRIK1GRIK2
SCHEMBL10464154 0.71

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-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed