SCHEMBL29319266

SCHEMBL29319266

C=C(CC)C(C)(C)Cc1cccc(C2CCCN(c3cccc(-c4ccc(C)c(C)c4)c3)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.41
DRD2 P14416 6/20 0.41
BCL9 O00512 2/20 0.41
CTNNB1 P35222 2/20 0.41
DRD4 P21917 4/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
NFKB1 P19838 1/20 0.36
PRCP P42785 1/20 0.36
EBP Q15125 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
SCHEMBL29319337 0.76 DRD3 (0.46) DRD3DRD2DRD4DRD1DRD5
SCHEMBL30350376 0.74 BCL9 (0.71) BCL9CTNNB1
SCHEMBL29318351 0.74 BCL9 (0.71) BCL9CTNNB1
SCHEMBL29319293 0.72 BCL9 (0.59) BCL9CTNNB1
SCHEMBL29319591 0.72 BCL9 (0.39) DRD3DRD2BCL9CTNNB1DRD4
SCHEMBL29318865 0.66 DRD3 (0.41) DRD3DRD2BCL9CTNNB1DRD4
SCHEMBL29320372 0.66 BCL9 (0.41) DRD3DRD2BCL9CTNNB1DRD4
SCHEMBL29318885 0.65 DRD3 (0.42) DRD3DRD2BCL9CTNNB1DRD4
SCHEMBL23599275 0.64 SMN1; SMN2 (0.44) BCL9CTNNB1
SCHEMBL29319655 0.64 DRD2 (0.59) DRD3DRD2DRD4DRD1DRD5

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-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed