SCHEMBL5775396

SCHEMBL5775396

COc1cccc2c([C@@H](O)CN3CCC(NCc4cnc5ccccc5c4)CC3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
SLC2A1 P11166 10/20 0.48
FAAH O00519 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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 0.86 SLC2A1 (0.48) KCNH2SLC2A1SIGMAR1HTR1ADRD2
SCHEMBL4276476 0.85 KCNH2 (0.68) KCNH2SLC2A1FAAH
SCHEMBL27595294 0.85 KCNH2 (0.68) KCNH2SLC2A1FAAH
SCHEMBL5773652 0.84 SLC2A1 (0.47) KCNH2SLC2A1SIGMAR1DRD2DRD3
SCHEMBL5775045 0.83 KCNH2 (0.52) KCNH2SLC2A1SIGMAR1DRD2DRD3
SCHEMBL5772802 0.83 SLC2A1 (0.48) KCNH2SLC2A1SIGMAR1DRD2
SCHEMBL5777366 0.83 LMNA (0.47) KCNH2SLC2A1SIGMAR1DRD2DRD3
SCHEMBL5778699 0.83 SLC2A1 (0.58) KCNH2SLC2A1SIGMAR1HTR1ADRD2
SCHEMBL5777778 0.83 SLC2A1 (0.47) KCNH2SLC2A1SIGMAR1HTR1ADRD2
SCHEMBL5258710 0.82 KCNH2 (0.45) KCNH2SLC2A1SIGMAR1HTR1A

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