SCHEMBL7995042

SCHEMBL7995042

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@H]2N(C(=O)CNS(=O)(=O)c3ccccc3)CC21C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.42
STAT6 P42226 5/20 0.39
STAT5A P42229 2/20 0.39
STAT5B P51692 1/20 0.39
TRPV4 Q9HBA0 1/20 0.36
CCR1 P32246 1/20 0.36
CTSK P43235 1/20 0.36
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
PIN1 Q13526 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 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

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
SCHEMBL8007246 0.94 STAT6 (0.38) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8007251 0.93 TRPV4 (0.39) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8007254 0.92 NPY5R (0.37) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8010889 0.92 STAT6 (0.36) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8006940 0.91 CCR1 (0.37) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8007248 0.91 NPY5R (0.35) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL7995230 0.91 TRPV4 (0.41) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8007203 0.90 CCR1 (0.39) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8007063 0.89 TRPV4 (0.42) NPY5RSTAT6STAT5ASTAT5BTRPV4
SCHEMBL8007066 0.89 TRPV4 (0.42) NPY5RSTAT6STAT5ASTAT5BTRPV4

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 disclosed