SCHEMBL14968838

SCHEMBL14968838

c1ccc(-c2occc2N2CCC(COCCN3CCCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH1 P35367 1/20 0.38

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
SCHEMBL28087471 0.79 LTA4H (0.40) LTA4HHRH3KDM4EDRD2HTR2A
SCHEMBL14968805 0.79 KDM4E (0.44) KDM4E
SCHEMBL28087525 0.76 HRH3 (0.39) HRH3KDM4E
SCHEMBL14965154 0.73
SCHEMBL18980200 0.72 KCNH2 (0.52) HRH3DRD2
SCHEMBL14964972 0.72 HRH3 (0.39) HRH3
SCHEMBL14965321 0.72 LRRK2 (0.44)
SCHEMBL14965286 0.70 CDK8 (0.37) KDM4E
SCHEMBL14965327 0.69
SCHEMBL28832719 0.68 HRH3 (0.33) HRH3

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-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed