SCHEMBL4052860

SCHEMBL4052860

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.47
CCR1 P32246 1/20 0.44
TRPV4 Q9HBA0 2/20 0.42
STAT6 P42226 6/20 0.39
STAT5A P42229 3/20 0.39
STAT5B P51692 2/20 0.39
OPRM1 P35372 1/20 0.38
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
CCR8 P51685 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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 0.94 NPY5R (0.44) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4053906 0.93 NPY5R (0.48) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4055537 0.93 TRPV4 (0.41) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4050227 0.92 STAT6 (0.41) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4056095 0.91 TRPV4 (0.44) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4053522 0.91 TRPV4 (0.51) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4051597 0.91 TRPV4 (0.44) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4052453 0.91 NPY5R (0.39) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4050524 0.90 TRPV4 (0.42) NPY5RCCR1TRPV4STAT6STAT5A
SCHEMBL4058747 0.90 CCR1 (0.41) NPY5RCCR1TRPV4STAT6STAT5A

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