SCHEMBL30409802

SCHEMBL30409802

C#Cc1ccc2c(CN3CCOCC3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.51
▸ BCHE P06276 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ DRD4 P21917 8/20 0.44
▸ DRD2 P14416 5/20 0.44
▸ DRD3 P35462 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTR6 P50406 1/20 0.42
▸ EGFR P00533 1/20 0.42

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
SCHEMBL24216492 1.00 HRH3 (0.51) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL24215860 0.88 LMNA (0.57) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL30409169 0.88 LMNA (0.57) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL24216507 0.85 HTR6 (0.61) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL30410475 0.85 HTR6 (0.61) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL24216324 0.82 DRD2 (0.63) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL30408006 0.82 DRD2 (0.63) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL19252887 0.80 HRH3 (0.54) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL13050952 0.80 HRH3 (0.56) HRH3BCHECYP2D6DRD4DRD2
SCHEMBL31217232 0.80 EGFR (0.56) HRH3BCHECYP2D6DRD4DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 — — EP disclosed
CN-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 — — CN disclosed
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