SCHEMBL5774506

SCHEMBL5774506

COc1ccc2nccc([C@H](O)CC3CC(NCc4ccc5scnc5c4)CCN3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.49
SLC2A1 P11166 6/20 0.43
MCHR1 Q99705 1/20 0.37

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
SCHEMBL5774517 0.85 KCNH2 (0.34) KCNH2SLC2A1MCHR1
SCHEMBL4274200 0.82 KCNH2 (0.72) KCNH2SLC2A1
SCHEMBL7502188 0.79 SLC2A1 (0.48) KCNH2SLC2A1
SCHEMBL7499192 0.79 SLC2A1 (0.48) KCNH2SLC2A1
SCHEMBL6987928 0.79 SLC2A1 (0.45) KCNH2SLC2A1
SCHEMBL6979457 0.77 SLC2A1 (0.45) KCNH2SLC2A1
SCHEMBL6987295 0.76 CYP2D6 (0.46) KCNH2SLC2A1
SCHEMBL6981059 0.76 SLC2A1 (0.42) KCNH2SLC2A1
SCHEMBL6979541 0.76 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL7510786 0.73 SLC2A1 (0.47) KCNH2SLC2A1

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-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed