SCHEMBL27595294

SCHEMBL27595294

COc1ccc2nccc(C(O)CN3CCC(NCc4cnc5ccccc5c4)CC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.68
SLC2A1 P11166 11/20 0.63
FAAH O00519 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4276476 1.00 KCNH2 (0.68) KCNH2SLC2A1FAAHMEN1KMT2A
SCHEMBL4269202 0.88 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL7017868 0.88 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL27579662 0.86 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL4272906 0.86 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL5775396 0.85 KCNH2 (0.49) KCNH2SLC2A1FAAH
SCHEMBL4276780 0.85 SLC2A1 (0.65) KCNH2SLC2A1
SCHEMBL3770941 0.85 KCNH2 (0.60) KCNH2SLC2A1MEN1KMT2A
SCHEMBL4276818 0.84 KCNH2 (0.66) KCNH2SLC2A1
SCHEMBL5304487 0.84 KCNH2 (0.83) 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
CN-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN disclosed