SCHEMBL7934126

SCHEMBL7934126

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.48
CYP51A1 Q16850 1/20 0.45
CCKBR P32239 2/20 0.43
DRD2 P14416 1/20 0.42
CCR1 P32246 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
AKR1C3 P42330 4/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7941160 0.94 STAT6 (0.45) STAT6CYP51A1CCKBRDRD2CCR1
SCHEMBL7945427 0.94 STAT6 (0.45) STAT6CYP51A1CCKBRDRD2HRH4
SCHEMBL7934440 0.94 STAT6 (0.48) STAT6CYP51A1CCKBRDRD2HRH4
SCHEMBL14980442 0.94 STAT6 (0.48) STAT6CYP51A1CCKBRDRD2HRH4
SCHEMBL7941162 0.94 STAT6 (0.45) STAT6CYP51A1CCKBRDRD2CCR1
SCHEMBL7936426 0.94 STAT6 (0.50) STAT6CYP51A1CCKBRDRD2AKR1C3
SCHEMBL7943634 0.92 STAT6 (0.48) STAT6CYP51A1CCKBRDRD2AKR1C3
SCHEMBL7941646 0.88 STAT6 (0.45) STAT6CYP51A1CCKBRDRD2CCR1
SCHEMBL7943270 0.87 STAT6 (0.48) STAT6CYP51A1CCKBRDRD2HRH4
SCHEMBL7942685 0.87 STAT6 (0.47) STAT6CYP51A1CCKBRDRD2HRH4

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-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed