SCHEMBL30147601

SCHEMBL30147601

CC(C)(C)OC(=O)N1CCc2c([nH]c(=O)c3cc(F)ccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.49
BAZ2B Q9UIF8 1/20 0.43
BRD3 Q15059 2/20 0.43
ESR2 Q92731 1/20 0.43
MKNK1 Q9BUB5 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
NR1H2 P55055 1/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
PLK1 P53350 1/20 0.41

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
SCHEMBL30147489 0.88 ESR2 (0.43) PARP1ESR2MKNK1TRPV1NR1H2
SCHEMBL21588267 0.87 TRPV1 (0.51) BAZ2BBRD3ESR2MKNK1TRPV1
SCHEMBL21588367 0.87 BAZ2B (0.58) BAZ2BBRD3TRPV1CDK4CCND1
SCHEMBL2270578 0.85 PARP1 (0.57) PARP1TRPV1CDK4CCND1
SCHEMBL29915037 0.83 ESR2 (0.46) PARP1BAZ2BESR2MKNK1TRPV1
SCHEMBL27002298 0.83 ESR2 (0.46) PARP1BAZ2BESR2MKNK1TRPV1
SCHEMBL23537452 0.82 PARP1 (0.39) PARP1BRD3PLK1
SCHEMBL29824381 0.82 PARP1 (0.39) PARP1BRD3PLK1
SCHEMBL21588363 0.79 CDK9 (0.44) BRD3ESR2MKNK1TRPV1NR1H2
SCHEMBL21114805 0.78 BAZ2B (0.58) BAZ2BBRD3ESR2

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-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed