SCHEMBL8008199

SCHEMBL8008199

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
CCKBR P32239 5/20 0.41
HTR2C P28335 1/20 0.40
STAT6 P42226 1/20 0.39
CYP51A1 Q16850 1/20 0.39
DRD3 P35462 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PYGL P06737 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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 0.86 DRD2 (0.38) DRD2CCKBRHTR2CSTAT6CYP51A1
SCHEMBL7995203 0.85 DRD2 (0.37) DRD2CCKBRHTR2CSTAT6CYP51A1
SCHEMBL8007233 0.85 DRD2 (0.37) DRD2CCKBRHTR2CSTAT6CYP51A1
SCHEMBL8004905 0.83 DRD2 (0.38) DRD2CCKBRHTR2CSTAT6CYP51A1
SCHEMBL8010535 0.82 DRD2 (0.37) DRD2CCKBRSTAT6CYP51A1PYGL
SCHEMBL8008787 0.80 DRD2 (0.35) DRD2CCKBRHTR2CSTAT6CYP51A1
SCHEMBL7995186 0.80 DRD2 (0.35) DRD2CCKBRHTR2CSTAT6CYP51A1
SCHEMBL7944428 0.80 DRD2 (0.51) DRD2CCKBRSTAT6CYP51A1DRD3
SCHEMBL8008794 0.79 STAT6 (0.40) DRD2CCKBRSTAT6CYP51A1DRD3
SCHEMBL7995570 0.75 DRD2 (0.38) DRD2CCKBRSTAT6CYP51A1GAA

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