SCHEMBL22418708

SCHEMBL22418708

O=C(c1cccc(Br)c1)N1CCC(N2CCc3ccccc3C2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 6/20 0.68
▸ L3MBTL1 Q9Y468 4/20 0.68
▸ L3MBTL4 Q8NA19 1/20 0.68
▸ MBTD1 Q05BQ5 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HPGD P15428 1/20 0.54
▸ ADRA1A P35348 6/20 0.54
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ HSD11B1 P28845 1/20 0.51
▸ MGLL Q99685 1/20 0.51

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
SCHEMBL30823777 1.00 L3MBTL3 (0.68) L3MBTL3L3MBTL1L3MBTL4MBTD1ALDH1A1
SCHEMBL22418721 0.84 ADRA1A (0.57) L3MBTL3L3MBTL1L3MBTL4MBTD1HPGD
SCHEMBL30823792 0.84 ADRA1A (0.57) L3MBTL3L3MBTL1L3MBTL4MBTD1HPGD
SCHEMBL23682703 0.81 L3MBTL3 (1.00) L3MBTL3L3MBTL1L3MBTL4MBTD1ALDH1A1
SCHEMBL19730382 0.81 L3MBTL3 (1.00) L3MBTL3L3MBTL1L3MBTL4MBTD1ALDH1A1
SCHEMBL22418675 0.81 ADRA1A (0.52) L3MBTL3L3MBTL1L3MBTL4MBTD1ADRA1A
SCHEMBL30823788 0.81 ADRA1A (0.52) L3MBTL3L3MBTL1L3MBTL4MBTD1ADRA1A
SCHEMBL22418711 0.81 ADRA1A (0.61) L3MBTL3L3MBTL1L3MBTL4MBTD1ADRA1A
SCHEMBL30823775 0.81 ADRA1A (0.61) L3MBTL3L3MBTL1L3MBTL4MBTD1ADRA1A
SCHEMBL23682884 0.80 L3MBTL3 (1.00) L3MBTL3L3MBTL1L3MBTL4MBTD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330009-B Azacyclic compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 — — CN disclosed
CN-113330009-A Nitrogen heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-08-31 — — CN disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 — — WO disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 — — WO disclosed
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