SCHEMBL25851700

SCHEMBL25851700

CCCCNC(=O)N1C2CCC1COC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CHRM1 P11229 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL30359136 0.77 GNAI3 (0.48) EPHX1
SCHEMBL12199450 0.73 GAA (0.48) CHRM1GAAMEN1KMT2AEPHX1
SCHEMBL23123303 0.71 CHRM1 (0.44) CHRM1GAAEPHX1
SCHEMBL23123302 0.71 CHRM1 (0.44) CHRM1GAAEPHX1
SCHEMBL23123839 0.71 CHRM1 (0.41) CHRM1EPHX1
SCHEMBL5217491 0.70 EPHX1 (0.50) EPHX1
SCHEMBL17572219 0.70 CHRNB2 (0.34) CHRM1
SCHEMBL12086338 0.69 GAA (0.45) CHRM1GAAMEN1KMT2AEPHX1
SCHEMBL23123996 0.68 NAMPT (0.49) HTTGAAMEN1KMT2AEPHX1
SCHEMBL26677286 0.68 EPHX1 (0.58) EPHX1

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
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
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