SCHEMBL7995186

SCHEMBL7995186

CCN(CCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CN(C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)C1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
HTR2C P28335 3/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
CCKBR P32239 4/20 0.34
MCHR1 Q99705 1/20 0.34
CYP51A1 Q16850 1/20 0.33
STAT6 P42226 1/20 0.33
PYGL P06737 3/20 0.33
ESR1 P03372 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
CRHR1 P34998 1/20 0.32
PYGM P11217 1/20 0.32

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
SCHEMBL8008787 1.00 DRD2 (0.35) DRD2HTR2CDRD3DRD1DRD4
SCHEMBL8010535 0.92 DRD2 (0.37) DRD2CCKBRCYP51A1STAT6PYGL
SCHEMBL8004905 0.85 DRD2 (0.38) DRD2HTR2CCCKBRCYP51A1STAT6
SCHEMBL4055536 0.82 DRD2 (0.35) DRD2HTR2CDRD3DRD1DRD4
SCHEMBL8007233 0.82 DRD2 (0.37) DRD2HTR2CDRD3DRD1DRD4
SCHEMBL8008199 0.80 DRD2 (0.44) DRD2HTR2CDRD3CCKBRCYP51A1
SCHEMBL7995203 0.79 DRD2 (0.37) DRD2HTR2CDRD3DRD1DRD4
SCHEMBL8004902 0.76 DRD2 (0.38) DRD2HTR2CCCKBRCYP51A1STAT6
SCHEMBL4050168 0.75 DRD2 (0.36) DRD2HTR2CDRD3DRD1DRD4
SCHEMBL4058360 0.74 DRD2 (0.36) DRD2HTR2CDRD3DRD1DRD4

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