SCHEMBL7920541

SCHEMBL7920541

C1=CC(Oc2ccc(C3=NCCO3)cc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 1/20 0.39
ACKR3 P25106 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
SCHEMBL187160 0.76 HRH1 (0.49) KCNH2HRH3LTA4H
SCHEMBL11782167 0.70 LTA4H (0.62) KCNH2HRH3LTA4HACKR3
SCHEMBL132013 0.70 KCNH2 (0.49) KCNH2HRH3LTA4H
SCHEMBL13517962 0.68 KCNH2 (0.50) KCNH2HRH3LTA4H
SCHEMBL15976794 0.68 KCNH2 (0.50) KCNH2HRH3LTA4HACKR3
SCHEMBL20410952 0.65 KCNH2 (0.43) KCNH2HRH3LTA4H
SCHEMBL9219942 0.65 KCNH2 (0.54) KCNH2HRH3LTA4HACKR3
SCHEMBL23576315 0.64 KCNH2 (0.47) KCNH2HRH3LTA4HACKR3
SCHEMBL9668080 0.64 HRH3 (0.68) KCNH2HRH3LTA4HACKR3
SCHEMBL9212204 0.64 KCNH2 (0.53) KCNH2HRH3LTA4HACKR3

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-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed