SCHEMBL30493256

SCHEMBL30493256

COC(=O)c1ccc(N2CC3CNCC3C2)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA4 P43681 5/20 0.39
▸ CHRNB2 P17787 4/20 0.39
▸ BPTF Q12830 1/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ KHK P50053 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36

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
SCHEMBL29390613 0.81 KDM4E (0.45) —
SCHEMBL25932939 0.80 NR1H2 (0.43) —
SCHEMBL31243899 0.77 KHK (0.36) CHRNA4CHRNB2BPTFCHRNB4CHRNA3
SCHEMBL20120995 0.76 HTR6 (0.46) —
SCHEMBL20214003 0.75 SIRT6 (0.43) —
SCHEMBL21876628 0.74 OPRK1 (0.39) —
SCHEMBL25329310 0.73 OPRK1 (0.39) —
SCHEMBL25933205 0.72 KCNH2 (0.37) CHRNA7
SCHEMBL29389971 0.71 MAPT (0.49) —
SCHEMBL20120639 0.71 MAPT (0.49) —

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-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 — — EP disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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