SCHEMBL29079563

SCHEMBL29079563

Cc1nn(C2CCC(=O)NC2=O)c2cccc(OCCCN3CCN(C(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.46
▸ DDB1 Q16531 9/20 0.43
▸ CRBN Q96SW2 9/20 0.43
▸ RXFP1 Q9HBX9 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
SCHEMBL29768100 0.85 CRBN (0.41) EPHX2DDB1CRBN
SCHEMBL29079635 0.85 CRBN (0.41) EPHX2DDB1CRBN
SCHEMBL31134557 0.83 DDB1 (0.50) DDB1CRBN
SCHEMBL29079553 0.81 KDM1A (0.42) DDB1CRBN
SCHEMBL25575583 0.77 CRBN (0.59) DDB1CRBN
SCHEMBL29079577 0.76 DDB1 (0.40) DDB1CRBN
SCHEMBL31727394 0.76 DDB1 (0.42) DDB1CRBN
SCHEMBL29079574 0.76 DDB1 (0.42) DDB1CRBN
SCHEMBL30574619 0.76 DDB1 (0.42) DDB1CRBN
SCHEMBL25180277 0.76 CRBN (0.61) DDB1CRBN

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-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
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