SCHEMBL4055537

SCHEMBL4055537

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
CCR1 P32246 1/20 0.40
NPY5R Q15761 4/20 0.39
OPRM1 P35372 1/20 0.38
STAT6 P42226 5/20 0.38
STAT5A P42229 3/20 0.38
STAT5B P51692 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.37
CCR8 P51685 1/20 0.35
KAT6A Q92794 1/20 0.35
USP2 O75604 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
SCHEMBL4052860 0.93 NPY5R (0.47) TRPV4CCR1NPY5ROPRM1STAT6
SCHEMBL4052986 0.93 NPY5R (0.44) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL4050227 0.90 STAT6 (0.41) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL4049802 0.90 L3MBTL1 (0.44) NPY5RSTAT6STAT5ASTAT5BNPC1
SCHEMBL4051597 0.90 TRPV4 (0.44) TRPV4CCR1NPY5ROPRM1STAT6
SCHEMBL4056095 0.90 TRPV4 (0.44) TRPV4CCR1NPY5ROPRM1STAT6
SCHEMBL4053522 0.90 TRPV4 (0.51) TRPV4CCR1NPY5ROPRM1STAT6
SCHEMBL4058747 0.90 CCR1 (0.41) TRPV4CCR1NPY5ROPRM1STAT6
SCHEMBL4050971 0.89 STAT6 (0.37) TRPV4CCR1NPY5RSTAT6STAT5A
SCHEMBL4050524 0.89 TRPV4 (0.42) TRPV4CCR1NPY5ROPRM1STAT6

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