SCHEMBL14358347

SCHEMBL14358347

COc1cnc2ccc(=O)n(CC(O)C34CCC(NCc5ccc6c(n5)OC(=O)CN6)(CC3)CO4)c2c1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.44

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
SCHEMBL14358274 0.91 KCNH2 (0.43) KCNH2
SCHEMBL14358178 0.87 KCNH2 (0.48) KCNH2
Hydrochloric Acid SCHEMBL14358140 0.86 KCNH2 (0.49) KCNH2
SCHEMBL14358649 0.86 KCNH2 (0.48) KCNH2
SCHEMBL14358197 0.84 KCNH2 (0.44) KCNH2
SCHEMBL14361367 0.84 KCNH2 (0.63) KCNH2
Hydrochloric Acid SCHEMBL15970319 0.83 KCNH2 (0.63) KCNH2
SCHEMBL14358357 0.83 KCNH2 (0.49) KCNH2
SCHEMBL14361562 0.79
SCHEMBL14358295 0.78 KCNH2 (0.47) KCNH2

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-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO claimed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed