SCHEMBL5778145

SCHEMBL5778145

COc1cccc2c([C@@H](O)CN3CCC(NCc4nc5c(F)cccc5[nH]4)CC3)ccnc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.47
KCNH2 Q12809 4/20 0.42
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL5775479 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1CCNT1CDK9
SCHEMBL5774194 0.92 SLC2A1 (0.49) SLC2A1KCNH2SIGMAR1HTR1ACCNT1
SCHEMBL5778323 0.90 SLC2A1 (0.49) SLC2A1KCNH2CCNT1CDK9
SCHEMBL5772802 0.89 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1MEN1KMT2A
SCHEMBL4268459 0.86 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL5776914 0.85 MEN1 (0.40) SLC2A1KCNH2HTR1AMEN1KMT2A
SCHEMBL5778699 0.83 SLC2A1 (0.58) SLC2A1KCNH2SIGMAR1HTR1AMEN1
SCHEMBL5771767 0.82 SLC2A1 (0.54) SLC2A1KCNH2SIGMAR1CCNT1CDK9
SCHEMBL5773156 0.80 SLC2A1 (0.57) SLC2A1KCNH2SIGMAR1HTR1AMEN1
SCHEMBL5775467 0.80 SLC2A1 (0.58) SLC2A1KCNH2SIGMAR1

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