SCHEMBL7945339

SCHEMBL7945339

COC(=O)c1ccc(-c2ccc(C(=O)N3C[C@@H]4CC3CN4C(=O)[C@@H](NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)nc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.35
SCN3A Q9NY46 2/20 0.35
SCN4A P35499 1/20 0.35
DRD2 P14416 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HTRA1 Q92743 2/20 0.34
AKR1C3 P42330 2/20 0.33
KDM5A P29375 1/20 0.33
CYP51A1 Q16850 1/20 0.33
HSPA5 P11021 1/20 0.33
HSPA8 P11142 1/20 0.33
HSPA9 P38646 1/20 0.33
HSPA2 P54652 1/20 0.33
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ELANE P08246 1/20 0.32
EGFR P00533 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL1931566 1.00 STAT6 (0.35) STAT6SCN3ASCN4ADRD2TAS1R3
SCHEMBL19856880 1.00 STAT6 (0.35) STAT6SCN3ASCN4ADRD2TAS1R3
SCHEMBL19856962 0.93 STAT6 (0.35) STAT6SCN3ASCN4ADRD2HTRA1
SCHEMBL19856958 0.93 STAT6 (0.35) STAT6SCN3ASCN4ADRD2HTRA1
SCHEMBL7947251 0.92 HTRA1 (0.36) STAT6SCN3ASCN4ADRD2HTRA1
SCHEMBL1930657 0.92 HTRA1 (0.36) STAT6SCN3ASCN4ADRD2HTRA1
SCHEMBL19856956 0.92 HTRA1 (0.36) STAT6SCN3ASCN4ADRD2HTRA1
SCHEMBL1931569 0.90 STAT6 (0.34) STAT6SCN3ASCN4ADRD2TAS1R3
SCHEMBL7933956 0.90 SCN3A (0.37) STAT6SCN3ASCN4ADRD2HTRA1
SCHEMBL7942793 0.90 SCN3A (0.37) STAT6SCN3ASCN4ADRD2HTRA1

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