SCHEMBL29319337

SCHEMBL29319337

C=C(CC)C(C)(C)Cc1cccc(C2CCCN(Cc3cccc(-c4ccc(F)c(F)c4)c3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.46
DRD2 P14416 5/20 0.46
DRD4 P21917 3/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
SIGMAR1 Q99720 3/20 0.40
NFKB1 P19838 1/20 0.40
PRCP P42785 1/20 0.40
EBP Q15125 1/20 0.40
CNR2 P34972 1/20 0.40
PDE2A O00408 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL29320372 0.78 BCL9 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29320312 0.77 BCL9 (0.39) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29318352 0.77 BCL9 (0.65)
SCHEMBL29319266 0.76 DRD3 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29319368 0.76 BCL9 (0.55)
SCHEMBL29320294 0.76 BCL9 (0.39) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29320518 0.75 BCL9 (0.37) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29318781 0.75 BCL9 (0.41) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29319614 0.73 BCL9 (0.39) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29319057 0.70 BCL9 (0.38) 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