SCHEMBL5748528

SCHEMBL5748528

COCOC1(C(=O)Nc2ccnc3ccc(OC)nc23)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.47
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL5750027 0.89 KCNH2 (0.48) KCNH2CNR1CNR2SLC2A1
SCHEMBL5749905 0.84 KCNH2 (0.49) KCNH2CNR1CNR2SLC2A1
SCHEMBL5749909 0.84 KCNH2 (0.57) KCNH2CNR1CNR2
SCHEMBL5750585 0.83 KCNH2 (0.49) KCNH2CNR1CNR2SLC2A1
SCHEMBL5750070 0.81 KCNH2 (0.47) KCNH2CNR1CNR2
SCHEMBL5750363 0.80 KCNH2 (0.46) KCNH2CNR1CNR2SLC2A1
SCHEMBL5749942 0.79 KCNH2 (0.45) KCNH2CNR1CNR2
SCHEMBL5746005 0.76 KCNH2 (0.45) KCNH2
SCHEMBL5751526 0.74 KCNH2 (0.42) KCNH2
SCHEMBL14341308 0.72 KCNH2 (0.51) KCNH2CNR1CNR2SLC2A1

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-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed