SCHEMBL30476244

SCHEMBL30476244

Brc1ccc2onc(C3CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.39
▸ HTR1F P30939 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ PIM1 P11309 1/20 0.37

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
SCHEMBL29922370 0.79 POLB (0.34) ACHEDRD2SLC6A4PIM1
SCHEMBL29922151 0.79 ESR2 (0.35) ACHEDRD2SLC6A4PIM1
SCHEMBL3523366 0.76 MAPK14 (0.47) ACHEDRD2SLC6A4PIM1
SCHEMBL17495459 0.76 GPR119 (0.45) HTR1FHTR1A
SCHEMBL23175681 0.75 CYP17A1 (0.38) HTR1FACHEDRD2SLC6A4
SCHEMBL23535655 0.74 HTR1F (0.48) SCDHTR1FHTR1A
SCHEMBL23175425 0.74 DRD2 (0.46) HTR1ADRD2
SCHEMBL7893855 0.72 IRAK4 (0.51) —
SCHEMBL23175432 0.71 DRD2 (0.42) SCDHTR1AACHEDRD2SLC6A4
SCHEMBL8920018 0.71 SCD (0.54) SCDACHE

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-116332937-A Dipeptidyl peptidase I inhibitors and uses thereof 杭州邦顺制药有限公司 2023-06-27 — — CN disclosed
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