SCHEMBL4863731

SCHEMBL4863731

CCN(CC)C1Cc2cc(OC)cc(-c3cccc(Cl)c3Cl)c2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
P2RX7 Q99572 2/20 0.35
DRD2 P14416 1/20 0.35
CHRM5 P08912 1/20 0.34
AQP1 P29972 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.32
CYP11B2 P19099 1/20 0.31
UTRN P46939 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 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
SCHEMBL4790775 0.83 AQP1 (0.35) DRD2AQP1LMNA
SCHEMBL4595103 0.82 NUDT1 (0.43) NUDT1P2RX7CHRM5AQP1MAPK14
SCHEMBL4595098 0.81 NUDT1 (0.42) NUDT1P2RX7DRD2CHRM5AQP1
SCHEMBL4226069 0.80 PRKAB2 (0.50) NUDT1P2RX7CHRM5AQP1MAPK14
SCHEMBL5605796 0.78 MAPK14 (0.40) MAPK14LMNA
SCHEMBL4234532 0.78 AQP1 (0.57) NUDT1P2RX7CHRM5AQP1MAPK14
SCHEMBL4234537 0.78 PRKAB2 (0.41) NUDT1P2RX7CHRM5AQP1MAPK14
SCHEMBL4965361 0.77 MAPK14 (0.36) MAPK14
SCHEMBL5140323 0.76 AQP1 (0.37) NUDT1P2RX7DRD2CHRM5AQP1
SCHEMBL4970977 0.76 HTR1A (0.37) AQP1

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
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed