SCHEMBL8004902

SCHEMBL8004902

CCN(CCNS(=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 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
CCKBR P32239 4/20 0.36
STAT6 P42226 1/20 0.34
HTR2C P28335 1/20 0.34
GHSR Q92847 7/20 0.34
CYP51A1 Q16850 1/20 0.34
PYGL P06737 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL8004905 0.89 DRD2 (0.38) DRD2CCKBRSTAT6HTR2CGHSR
SCHEMBL7995570 0.88 DRD2 (0.38) DRD2CCKBRSTAT6GHSRCYP51A1
SCHEMBL7995203 0.87 DRD2 (0.37) DRD2CCKBRSTAT6HTR2CCYP51A1
SCHEMBL8007233 0.87 DRD2 (0.37) DRD2CCKBRSTAT6HTR2CCYP51A1
SCHEMBL8008199 0.86 DRD2 (0.44) DRD2CCKBRSTAT6HTR2CCYP51A1
SCHEMBL4048357 0.81 DRD2 (0.38) DRD2CCKBRSTAT6CYP51A1PYGL
SCHEMBL4050835 0.79 DRD2 (0.39) DRD2CCKBRSTAT6GHSRCYP51A1
SCHEMBL8010535 0.78 DRD2 (0.37) DRD2CCKBRSTAT6CYP51A1PYGL
SCHEMBL7995186 0.76 DRD2 (0.35) DRD2CCKBRSTAT6HTR2CCYP51A1
SCHEMBL8008787 0.76 DRD2 (0.35) DRD2CCKBRSTAT6HTR2CCYP51A1

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