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Sugi Predict / Compounds / SCHEMBL29796832

SCHEMBL29796832

SCHEMBL29796832

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3noc(C45CC(CN(C(=O)OC(C)(C)C)C4)C5)n3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 4/20 0.35
▸ P2RX3 P56373 2/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL26962155 1.00 BDKRB1 (0.35) BDKRB1P2RX3S1PR1NR1H4POLB
SCHEMBL26961726 0.93 KCNH2 (0.33) BDKRB1
SCHEMBL29796890 0.93 KCNH2 (0.33) BDKRB1
SCHEMBL29796709 0.92 SRC (0.31) BDKRB1
SCHEMBL26961876 0.92 SRC (0.31) BDKRB1
SCHEMBL26961683 0.89 POLB (0.30) POLBMAPT
SCHEMBL29796869 0.89 POLB (0.30) POLBMAPT
SCHEMBL26961877 0.88 BDKRB1 (0.33) BDKRB1P2RX3S1PR1
SCHEMBL29796828 0.84 HDAC6 (0.38) BDKRB1P2RX3POLBMAPT
SCHEMBL26961865 0.84 HDAC6 (0.38) BDKRB1P2RX3POLBMAPT

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
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — WO disclosed
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