SCHEMBL30802684

SCHEMBL30802684

NC(=O)C(c1cccc(Cl)c1)c1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.46
▸ HTR3B O95264 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3D Q70Z44 2/20 0.46
▸ HTR3C Q8WXA8 2/20 0.46
▸ PARP1 P09874 1/20 0.42
▸ GRIN2B Q13224 3/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ PNMT P11086 1/20 0.41

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
SCHEMBL30802687 0.89 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15774550 0.76 PARP1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL94762 0.75 — —
SCHEMBL29574711 0.75 — —
SCHEMBL7471497 0.75 PARP1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6100230 0.74 EPHX1 (0.49) MEN1KMT2A
SCHEMBL29610281 0.74 EPHX1 (0.71) GRIN2BMEN1KMT2ATRPM8PNMT
SCHEMBL28605536 0.74 EPHX1 (0.71) GRIN2BMEN1KMT2ATRPM8PNMT
SCHEMBL5064611 0.73 PARP1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7283486 0.73 PARP1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 — — CN disclosed
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