SCHEMBL4053906

SCHEMBL4053906

Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(NC(=O)c2cc3ccccc3s2)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.48
STAT6 P42226 6/20 0.39
STAT5A P42229 3/20 0.39
STAT5B P51692 2/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR8 P51685 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CCR1 P32246 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK14 Q16539 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4052986 0.95 NPY5R (0.44) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4052860 0.93 NPY5R (0.47) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4050227 0.92 STAT6 (0.41) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4052453 0.91 NPY5R (0.39) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4050589 0.90 TRPV4 (0.44) NPY5RSTAT6STAT5ASTAT5BOPRM1
SCHEMBL4053892 0.90 STAT6 (0.40) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4056428 0.90 STAT6 (0.38) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4055537 0.89 TRPV4 (0.41) NPY5RSTAT6STAT5ASTAT5BMEN1
SCHEMBL4050524 0.88 TRPV4 (0.42) NPY5RSTAT6STAT5ASTAT5BOPRM1
SCHEMBL4049802 0.88 L3MBTL1 (0.44) NPY5RSTAT6STAT5ASTAT5BPOLB

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