SCHEMBL5777366

SCHEMBL5777366

COc1cccc2c([C@@H](O)CN3CCC(NCc4nc5ccccc5n4C)CC3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.46
SLC2A1 P11166 10/20 0.45
KCNH2 Q12809 2/20 0.44
DRD2 P14416 2/20 0.44
GRM2 Q14416 2/20 0.44
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 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
SCHEMBL5773652 0.84 SLC2A1 (0.47) RAB9ASLC2A1KCNH2DRD2SIGMAR1
SCHEMBL4278930 0.84 KCNH2 (0.63) LMNAKMT2ASLC2A1KCNH2
SCHEMBL5772116 0.84 SLC2A1 (0.48) LMNAKMT2ASLC2A1KCNH2DRD2
SCHEMBL5772802 0.83 SLC2A1 (0.48) KMT2ARAB9ASLC2A1KCNH2DRD2
SCHEMBL5775396 0.83 KCNH2 (0.49) SLC2A1KCNH2DRD2SIGMAR1DRD3
SCHEMBL5773815 0.81 SLC2A1 (0.45) KMT2ASLC2A1KCNH2SIGMAR1
SCHEMBL5778699 0.80 SLC2A1 (0.58) LMNAKMT2ASLC2A1KCNH2DRD2
SCHEMBL5777778 0.80 SLC2A1 (0.47) LMNAKMT2ASLC2A1KCNH2DRD2
SCHEMBL5774216 0.79 SLC2A1 (0.49) SLC2A1KCNH2SIGMAR1
SCHEMBL5773156 0.78 SLC2A1 (0.57) LMNAKMT2ASLC2A1KCNH2DRD2

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