SCHEMBL4758370

SCHEMBL4758370

COc1cnc2cccc(C(O)CN3CCC(NC(=O)Oc4ccc5c(c4)OCCO5)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.58
SLC2A1 P11166 9/20 0.50
MCHR1 Q99705 4/20 0.50

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
SCHEMBL13014338 0.89 SLC2A1 (0.60) KCNH2SLC2A1
SCHEMBL4759561 0.87 SLC2A1 (0.46) KCNH2SLC2A1MCHR1
SCHEMBL3775156 0.84 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL4760076 0.84 KCNH2 (0.57) KCNH2SLC2A1MCHR1
SCHEMBL3769272 0.83 SLC2A1 (0.53) KCNH2SLC2A1
SCHEMBL3786610 0.81 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL3779600 0.81 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL3775094 0.81 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL14519825 0.79 SLC2A1 (0.76) KCNH2SLC2A1MCHR1
SCHEMBL3780005 0.78 KCNH2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed