SCHEMBL4052453

SCHEMBL4052453

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.39
STAT6 P42226 6/20 0.38
STAT5A P42229 3/20 0.38
STAT5B P51692 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
CCR8 P51685 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CCR1 P32246 1/20 0.35
MAPK9 P45984 1/20 0.34
MAPK14 Q16539 1/20 0.34
VHL P40337 1/20 0.34

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
SCHEMBL4050971 0.93 STAT6 (0.37) NPY5RSTAT6STAT5ASTAT5BCTSB
SCHEMBL4052986 0.92 NPY5R (0.44) NPY5RSTAT6STAT5ASTAT5BCTSB
SCHEMBL4053906 0.91 NPY5R (0.48) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4052860 0.91 NPY5R (0.47) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4051924 0.90 TRPV4 (0.42) NPY5RSTAT6STAT5ASTAT5BCTSB
SCHEMBL4050227 0.90 STAT6 (0.41) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4056428 0.87 STAT6 (0.38) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4055537 0.86 TRPV4 (0.41) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL8007254 0.86 NPY5R (0.37) NPY5RSTAT6STAT5ASTAT5BCTSB
SCHEMBL4053892 0.86 STAT6 (0.40) NPY5RSTAT6STAT5ASTAT5BMEN1

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-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO claimed