SCHEMBL30599282

SCHEMBL30599282

CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(N)=O)C(=O)Nc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.48
▸ RXRA P19793 10/20 0.48
▸ NR1H3 Q13133 10/20 0.48
▸ BACE1 P56817 1/20 0.43
▸ KDM1A O60341 1/20 0.40

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
SCHEMBL24403238 1.00 NR1H2 (0.48) NR1H2RXRANR1H3BACE1KDM1A
SCHEMBL30599281 1.00 NR1H2 (0.48) NR1H2RXRANR1H3BACE1KDM1A
SCHEMBL24403239 1.00 NR1H2 (0.48) NR1H2RXRANR1H3BACE1KDM1A
SCHEMBL26312430 0.90 NR1H2 (0.48) NR1H2RXRANR1H3BACE1
SCHEMBL6521416 0.90 NR1H2 (0.51) NR1H2RXRANR1H3BACE1
SCHEMBL3664778 0.90 NR1H2 (0.51) NR1H2RXRANR1H3BACE1
SCHEMBL26312431 0.90 NR1H2 (0.48) NR1H2RXRANR1H3BACE1
SCHEMBL25240372 0.90 NR1H2 (0.51) NR1H2RXRANR1H3BACE1
SCHEMBL24451647 0.88 BACE1 (0.53) NR1H2RXRANR1H3BACE1
SCHEMBL3724868 0.88 BACE1 (0.53) NR1H2RXRANR1H3BACE1

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
CN-116969957-A Indazole compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-10-31 — — CN disclosed
CN-116813697-A Halogenated benzene ring-spiro compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-09-29 — — CN disclosed
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