SCHEMBL5774216

SCHEMBL5774216

COc1cccc2c([C@H](O)CN3CCC(NCc4ccc5cc(O)ccc5n4)CC3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 12/20 0.49
KCNH2 Q12809 5/20 0.49
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL5772116 0.91 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1HTR1AADRA1D
SCHEMBL5773885 0.84 KCNH2 (0.68) SLC2A1KCNH2
SCHEMBL5775396 0.81 KCNH2 (0.49) SLC2A1KCNH2SIGMAR1HTR1A
SCHEMBL5772791 0.80 KCNH2 (0.37) KCNH2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5255719 0.80 SLC2A1 (0.43) SLC2A1KCNH2
SCHEMBL5776996 0.79 SLC2A1 (0.54) SLC2A1KCNH2HTR1A
SCHEMBL5253483 0.79 KCNH2 (0.54) KCNH2
SCHEMBL5778699 0.79 SLC2A1 (0.58) SLC2A1KCNH2SIGMAR1HTR1AADRA1D
SCHEMBL5773156 0.79 SLC2A1 (0.57) SLC2A1KCNH2SIGMAR1HTR1AADRA1D
SCHEMBL5777778 0.79 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1HTR1AADRA1D

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