SCHEMBL7943772

SCHEMBL7943772

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)C1Cc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 4/20 0.43
CYP51A1 Q16850 1/20 0.39
STAT5A P42229 2/20 0.39
STAT5B P51692 1/20 0.38
DRD2 P14416 1/20 0.38
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
KDM5A P29375 1/20 0.38
CCKBR P32239 1/20 0.36
ELANE P08246 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
SCHEMBL12552719 0.86 DRD2 (0.41) STAT6CYP51A1DRD2PYGLPYGM
SCHEMBL1931296 0.86 DRD2 (0.41) STAT6CYP51A1DRD2PYGLPYGM
SCHEMBL1931082 0.86 DRD2 (0.41) STAT6CYP51A1DRD2PYGLPYGM
SCHEMBL14980442 0.85 STAT6 (0.48) STAT6CYP51A1DRD2CCKBR
SCHEMBL7934440 0.85 STAT6 (0.48) STAT6CYP51A1DRD2CCKBR
SCHEMBL7943270 0.84 STAT6 (0.48) STAT6CYP51A1DRD2CCKBRELANE
SCHEMBL7934126 0.83 STAT6 (0.48) STAT6CYP51A1DRD2CCKBR
SCHEMBL16474116 0.81 STAT6 (0.45) STAT6CYP51A1STAT5ADRD2KDM5A
SCHEMBL7945427 0.81 STAT6 (0.45) STAT6CYP51A1DRD2KDM5ACCKBR
SCHEMBL7941160 0.81 STAT6 (0.45) STAT6CYP51A1DRD2PYGLCCKBR

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed