SCHEMBL19404285

SCHEMBL19404285

O=C(c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)cc2)c1)N1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 20/20 0.80
▸ CTNNB1 P35222 20/20 0.80

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
SCHEMBL19404233 0.89 CTNNB1 (1.00) BCL9CTNNB1
SCHEMBL19404315 0.89 BCL9 (1.00) BCL9CTNNB1
SCHEMBL19404313 0.89 BCL9 (1.00) BCL9CTNNB1
Hydrochloric Acid SCHEMBL30171171 0.89 BCL9 (1.00) BCL9CTNNB1
Hydrochloric Acid SCHEMBL30171277 0.88 BCL9 (1.00) BCL9CTNNB1
Hydrochloric Acid SCHEMBL30171106 0.88 BCL9 (1.00) BCL9CTNNB1
Hydrochloric Acid SCHEMBL23456176 0.87 BCL9 (1.00) BCL9CTNNB1
Hydrochloric Acid SCHEMBL30171151 0.87 BCL9 (1.00) BCL9CTNNB1
Hydrochloric Acid SCHEMBL23456177 0.87 BCL9 (1.00) BCL9CTNNB1
SCHEMBL23456356 0.85 BCL9 (0.61) BCL9CTNNB1

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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