SCHEMBL7995203

SCHEMBL7995203

CCN(CCNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)C1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
DRD3 P35462 4/20 0.36
PYGL P06737 2/20 0.36
BCAT1 P54687 1/20 0.36
CCKBR P32239 4/20 0.35
CYP51A1 Q16850 3/20 0.35
LGALS8 O00214 2/20 0.35
LGALS1 P09382 1/20 0.35
LGALS3 P17931 1/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
HTR2C P28335 2/20 0.35
DRD5 P21918 1/20 0.35
OPRK1 P41145 1/20 0.34
STAT6 P42226 1/20 0.34

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
SCHEMBL8007233 0.95 DRD2 (0.37) DRD2DRD3PYGLBCAT1CCKBR
SCHEMBL8005363 0.88 PYGL (0.41) DRD2DRD3PYGLBCAT1CYP51A1
SCHEMBL8004902 0.87 DRD2 (0.38) DRD2PYGLCCKBRCYP51A1HTR2C
SCHEMBL8010535 0.85 DRD2 (0.37) DRD2PYGLBCAT1CCKBRCYP51A1
SCHEMBL8008199 0.85 DRD2 (0.44) DRD2DRD3PYGLCCKBRCYP51A1
SCHEMBL4051527 0.81 DRD3 (0.39) DRD2DRD3PYGLBCAT1CYP51A1
SCHEMBL7995186 0.79 DRD2 (0.35) DRD2DRD3PYGLCCKBRCYP51A1
SCHEMBL8008787 0.79 DRD2 (0.35) DRD2DRD3PYGLCCKBRCYP51A1
SCHEMBL8004708 0.79 PYGL (0.39) DRD2DRD3PYGLCYP51A1DRD1
SCHEMBL4057362 0.79 PYGL (0.39) DRD2DRD3PYGLBCAT1CYP51A1

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