SCHEMBL29040808

SCHEMBL29040808

O=C(O)N1CCc2cc(Br)cc(F)c2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
ABHD6 Q9BV23 3/20 0.38
BAZ2B Q9UIF8 4/20 0.36
HTR5A P47898 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL31597954 0.88 ABHD6 (0.38) HDAC6ABHD6BAZ2BHTR5AHPGD
SCHEMBL30666307 0.86 TRAP1 (0.35) HDAC6ABHD6BAZ2BDPP7
SCHEMBL19949181 0.84 DPP4 (0.43) HDAC6BAZ2BHTR5AHPGDSMN1; SMN2
SCHEMBL25591078 0.83 KEAP1 (0.44) HDAC6SMN1; SMN2HTTALDH1A1PTGDR2
SCHEMBL30548165 0.80 ESR2 (0.52) HDAC6ABHD6DPP4ESR2
SCHEMBL15779087 0.80 ESR2 (0.52) HDAC6ABHD6DPP4ESR2
SCHEMBL19948792 0.78 BTK (0.34) HDAC6ABHD6BAZ2BHTR5AHPGD
SCHEMBL20162117 0.78 DPP4 (0.38) HDAC6HTR5ADPP4DPP7ALDH1A1
SCHEMBL13082467 0.75 RIPK1 (0.49) ABHD6HTR5AHPGDSMN1; SMN2NPC1
SCHEMBL29118089 0.74 ALDH1A1 (0.37) BAZ2BHTR5AHPGDSMN1; SMN2NPC1

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-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed