SCHEMBL28336575

SCHEMBL28336575

CC(C)(C)OC(=O)c1cc(Cl)c(O[C@@H]2CCCN(C(=O)O)C2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.45
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL18263275 1.00 SCN9A (0.45) SCN9AHPGDSMN1; SMN2TAAR1
SCHEMBL18244253 0.92 SCN9A (0.47) SCN9AHPGDSMN1; SMN2
SCHEMBL16770612 0.92 SCN9A (0.47) SCN9AHPGDSMN1; SMN2
SCHEMBL17062032 0.92 SCN9A (0.47) SCN9AHPGDSMN1; SMN2
SCHEMBL28335957 0.87 SCN9A (0.47) SCN9A
SCHEMBL28335959 0.87 SCN9A (0.47) SCN9A
SCHEMBL28336084 0.83 SCN9A (0.55) SCN9A
SCHEMBL28338651 0.83 SCN9A (0.55) SCN9A
SCHEMBL28336086 0.83 SCN9A (0.55) SCN9A
SCHEMBL17061709 0.83 SCN9A (0.53) SCN9A

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-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed