SCHEMBL4050835

SCHEMBL4050835

Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
CYP51A1 Q16850 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
STAT6 P42226 1/20 0.35
CNR2 P34972 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PLD1 Q13393 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CCKBR P32239 2/20 0.34
PYGL P06737 1/20 0.34
AKR1C3 P42330 1/20 0.34
GHSR Q92847 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
SCHEMBL4048357 0.90 DRD2 (0.38) DRD2CYP51A1STAT6CNR2TAS1R3
SCHEMBL4051134 0.87 DRD2 (0.38) DRD2CYP51A1STAT6CNR2TAS1R3
SCHEMBL4057673 0.86 PYGL (0.39) DRD2CYP51A1STAT6PYGL
SCHEMBL4057362 0.86 PYGL (0.39) DRD2CYP51A1PYGL
SCHEMBL19856906 0.84 DRD2 (0.45) DRD2CYP51A1STAT6TAS1R3TAS1R1
SCHEMBL4052196 0.84 DRD4 (0.38) DRD2CYP51A1STAT6TAS1R3TAS1R1
SCHEMBL4050168 0.84 DRD2 (0.36) DRD2CYP51A1STAT6CCKBRPYGL
SCHEMBL19856897 0.83 DRD2 (0.41) DRD2CYP51A1PDGFRBPDGFRASTAT6
SCHEMBL19856899 0.83 DRD2 (0.41) DRD2CYP51A1PDGFRBPDGFRASTAT6
SCHEMBL1549547 0.83 PDGFRB (0.46) DRD2CYP51A1PDGFRBPDGFRASTAT6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed