SCHEMBL21855096

SCHEMBL21855096

CC[C@H]1CNCCN1C(=O)c1ccc(OC2CCN(C(=O)O)C2)c(C2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 19/20 0.50
▸ BCL9 O00512 18/20 0.50
▸ BCL9L Q86UU0 1/20 0.48
▸ POLB P06746 1/20 0.44

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
SCHEMBL23456294 0.84 CTNNB1 (0.58) CTNNB1BCL9BCL9L
SCHEMBL23456296 0.84 CTNNB1 (0.58) CTNNB1BCL9BCL9L
SCHEMBL21855132 0.82 PDE4B (0.44) CTNNB1BCL9POLB
SCHEMBL21855133 0.82 PDE4B (0.44) CTNNB1BCL9POLB
SCHEMBL23456166 0.82 BCL9 (0.61) CTNNB1BCL9
SCHEMBL21855100 0.77 CTNNB1 (0.48) CTNNB1BCL9BCL9L
SCHEMBL30392056 0.74 CTNNB1 (0.55) CTNNB1BCL9BCL9L
SCHEMBL19404359 0.74 CTNNB1 (0.55) CTNNB1BCL9BCL9L
SCHEMBL31205136 0.73 PDE4B (0.46) CTNNB1BCL9POLB
SCHEMBL21855094 0.73 CTNNB1 (0.47) CTNNB1BCL9BCL9L

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-2020081918-A2 ΒETA-CATENIN AND B-CELL LYMPHOMA 9 (BCL9) INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-04-23 — — WO disclosed
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