SCHEMBL5774194

SCHEMBL5774194

COc1cccc2c([C@@H](O)CN3CCC(NCc4nc5c(F)cc(F)cc5[nH]4)CC3)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.49
KCNH2 Q12809 5/20 0.42
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 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
SCHEMBL5778145 0.92 SLC2A1 (0.47) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL5775479 0.90 SLC2A1 (0.48) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL5778323 0.89 SLC2A1 (0.49) SLC2A1KCNH2CCNT1CDK9
SCHEMBL5771767 0.88 SLC2A1 (0.54) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL5772802 0.86 SLC2A1 (0.48) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL4270115 0.85 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL4270084 0.83 SLC2A1 (0.68) SLC2A1KCNH2
SCHEMBL5778699 0.81 SLC2A1 (0.58) SLC2A1KCNH2SIGMAR1HTR1A
SCHEMBL5773156 0.80 SLC2A1 (0.57) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL4268459 0.80 SLC2A1 (0.64) SLC2A1KCNH2

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