SCHEMBL29676790

SCHEMBL29676790

O=C1c2ccccc2CN1CCN1CCc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.62
▸ HTR1A P08908 3/20 0.62
▸ DRD3 P35462 3/20 0.62
▸ PARP2 Q9UGN5 2/20 0.60
▸ PARP1 P09874 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SIRT1 Q96EB6 1/20 0.55
▸ DRD2 P14416 2/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ DRD5 P21918 1/20 0.53
▸ DAO P14920 1/20 0.51
▸ ACHE P22303 1/20 0.50

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
SCHEMBL30073106 0.84 KDM4E (0.72) HTR7HTR1ADRD3KDM4EALOX15
SCHEMBL30073110 0.84 KDM4E (0.72) HTR7HTR1ADRD3KDM4EALOX15
SCHEMBL4632555 0.83 PARP2 (0.56) HTR7HTR1ADRD3PARP2PARP1
SCHEMBL15908686 0.80 PRMT5 (0.70) —
SCHEMBL15908693 0.80 PRMT5 (0.70) —
SCHEMBL15908697 0.80 PRMT5 (0.70) —
SCHEMBL4795468 0.79 PARP2 (0.49) HTR7HTR1ADRD3PARP2PARP1
SCHEMBL16868889 0.78 DRD2 (0.55) HTR7HTR1ADRD3KDM4EALOX15
SCHEMBL30073167 0.77 KDM4E (0.49) HTR7HTR1ADRD3KDM4EALOX15
SCHEMBL7983132 0.77 HTR7 (1.00) HTR7HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 — — CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 — — CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 — — CN disclosed
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