SCHEMBL5778699

SCHEMBL5778699

COc1cccc2c([C@@H](O)CN3CCC(NCc4cc5ccccc5[nH]4)CC3)ccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.58
KCNH2 Q12809 3/20 0.44
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB3 P13945 1/20 0.39
HTR1A P08908 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5775467 0.92 SLC2A1 (0.58) SLC2A1KCNH2SIGMAR1DRD2DRD3
SCHEMBL5773156 0.91 SLC2A1 (0.57) SLC2A1KCNH2SIGMAR1MEN1KMT2A
SCHEMBL5771767 0.86 SLC2A1 (0.54) SLC2A1KCNH2SIGMAR1
SCHEMBL5772802 0.86 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1MEN1KMT2A
SCHEMBL27577361 0.84 SLC2A1 (0.77) SLC2A1KCNH2
SCHEMBL4269307 0.84 SLC2A1 (0.77) SLC2A1KCNH2
SCHEMBL5778145 0.83 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1MEN1KMT2A
SCHEMBL5777778 0.83 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1MEN1KMT2A
SCHEMBL5775396 0.83 KCNH2 (0.49) SLC2A1KCNH2SIGMAR1HTR1ADRD2
SCHEMBL5772116 0.83 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1MEN1KMT2A

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