SCHEMBL29256732

SCHEMBL29256732

CC(C)(C)OC(=O)NCCCCCCCN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 12/20 0.53
▸ DRD3 P35462 1/20 0.43
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CDK14 O94921 7/20 0.40
▸ CCNY Q8ND76 7/20 0.40
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL29256739 0.89 CDK14 (0.42) DRD2CCNT1CDK9CDK5CDK5R1
SCHEMBL22582168 0.85 CDK14 (0.43) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL31664698 0.84 CDK9 (0.44) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL26123683 0.84 CDK9 (0.44) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL30689623 0.84 CDK9 (0.44) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL30689600 0.84 CDK9 (0.44) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL30689624 0.83 CDK5 (0.45) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL8212911 0.83 CCNT1 (0.48) DRD2DRD3CCNT1CDK9CDK5
SCHEMBL959324 0.82 CNR1 (0.49) CCNT1CDK9CDK5CDK5R1CDK14
SCHEMBL8262979 0.82 CDK5 (0.48) CCNT1CDK9CDK5CDK5R1CDK14

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-118221645-A Proteolysis targeting chimeric and preparation method, pharmaceutical composition and application thereof 河北康泰药业有限公司 2024-06-21 — — CN disclosed
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