SCHEMBL2668612

SCHEMBL2668612

CC(=O)N1CCN(CC(CNC(=O)c2cc3cc(OCCCS(C)(=O)=O)cc(NS(=O)(=O)c4ccccn4)c3[nH]2)SCc2ccccc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.33
ITGA2B P08514 6/20 0.33
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ITGAV P06756 1/20 0.30
LGALS8 O00214 1/20 0.30

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
SCHEMBL13221707 0.94 ITGB3 (0.33) ITGB3ITGA2BPDE3BPDE3APOLB
SCHEMBL2668802 0.92 ITGB3 (0.33) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2659562 0.92 DRD2 (0.33) ITGB3ITGA2BPDE3BPDE3APOLB
SCHEMBL13203945 0.91 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL2659563 0.88 ITGB3 (0.31) ITGB3ITGA2BPDE3BPDE3APOLB
SCHEMBL13222226 0.88 ITGB3 (0.33) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2668804 0.86 LGALS8 (0.35) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2660001 0.86 ITGB3 (0.34) ITGB3ITGA2BITGAVLGALS8
SCHEMBL2659492 0.85 ITGB3 (0.33) ITGB3ITGA2BPDE3BPDE3AITGAV
SCHEMBL13203946 0.85 ITGB3 (0.32) ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed