SCHEMBL7995570

SCHEMBL7995570

CCN(C(=O)CNS(=O)(=O)c1cc(C)ccc1C)[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)C1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
STAT6 P42226 1/20 0.34
CCKBR P32239 4/20 0.34
PYGL P06737 2/20 0.34
CYP51A1 Q16850 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
GHSR Q92847 3/20 0.33

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
SCHEMBL8004902 0.88 DRD2 (0.38) DRD2STAT6CCKBRPYGLCYP51A1
SCHEMBL8005363 0.87 PYGL (0.41) DRD2PYGLCYP51A1
SCHEMBL8004708 0.85 PYGL (0.39) DRD2STAT6PYGLCYP51A1
SCHEMBL7997110 0.84 DRD2 (0.38) DRD2STAT6CCKBRPYGLCYP51A1
SCHEMBL8004905 0.82 DRD2 (0.38) DRD2STAT6CCKBRPYGLCYP51A1
SCHEMBL4050835 0.82 DRD2 (0.39) DRD2STAT6CCKBRPYGLCYP51A1
SCHEMBL8008794 0.81 STAT6 (0.40) DRD2STAT6CCKBRPYGLCYP51A1
SCHEMBL4048357 0.78 DRD2 (0.38) DRD2STAT6CCKBRPYGLCYP51A1
SCHEMBL8008195 0.77 TRPV4 (0.43) DRD2CCKBRPYGLCYP51A1
SCHEMBL8008199 0.75 DRD2 (0.44) DRD2STAT6CCKBRPYGLCYP51A1

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