SCHEMBL19404357

SCHEMBL19404357

CC(C)(C)OC(=O)N1CC[C@H](Oc2ncc(C(=O)N3CCNCC3)cc2-c2ccc(F)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 5/20 0.58
▸ CTNNB1 P35222 5/20 0.58
▸ PIK3CD O00329 15/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CG P48736 2/20 0.46

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
SCHEMBL30391824 1.00 BCL9 (0.58) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL23456198 0.91 BCL9 (0.51) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL23456339 0.89 BCL9 (0.49) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL18165167 0.88 PIK3CD (0.49) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL30171046 0.88 PIK3CD (0.49) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL23456310 0.88 PIK3CD (0.49) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL23456262 0.88 BCL9 (0.62) BCL9CTNNB1
SCHEMBL23456260 0.88 BCL9 (0.62) BCL9CTNNB1
SCHEMBL19404350 0.86 PIK3CD (0.50) BCL9CTNNB1PIK3CDPIK3CAPIK3CB
SCHEMBL30391831 0.86 BCL9 (0.63) BCL9CTNNB1PIK3CDPIK3CAPIK3CB

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
WO-2017165839-A1 METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-09-28 — — WO disclosed
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