SCHEMBL2171780

SCHEMBL2171780

Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(N)=O)cc(-c3cnccc3C#N)c2)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.38
GRM2 Q14416 1/20 0.36
XDH P47989 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
S1PR3 Q99500 1/20 0.34
ABL1 P00519 1/20 0.34
ELANE P08246 2/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
PIP4K2A P48426 1/20 0.33
WNT3A P56704 1/20 0.33
PIK3CA P42336 1/20 0.33
BTK Q06187 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
SCHEMBL2171763 0.81 XDH (0.46) CYP11B2GRM2XDHSLC22A12ABL1
SCHEMBL2171685 0.79 S1PR3 (0.42) XDHS1PR3WNT3A
SCHEMBL2171775 0.77 P2RX3 (0.43) XDH
SCHEMBL2172263 0.72 NSD2 (0.37) CYP11B2SLC22A12S1PR3
SCHEMBL2172429 0.70 P2RX3 (0.53)
SCHEMBL2172422 0.70 P2RX3 (0.53)
SCHEMBL1495543 0.70 TDP1 (0.45) GRM2XDHCYP46A1
SCHEMBL2170462 0.70 S1PR3 (0.41) XDHS1PR3
SCHEMBL7676386 0.67 LRRK2 (0.51) CYP11B2SLC22A12ABL1
SCHEMBL2172000 0.67 S1PR3 (0.40) XDHS1PR3WNT3A

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
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed