SCHEMBL5772802

SCHEMBL5772802

COc1cccc2c([C@@H](O)CN3CCC(NCc4nc5ccccc5[nH]4)CC3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.48
KCNH2 Q12809 2/20 0.44
DRD4 P21917 3/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
DRD2 P14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1G O43497 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
SCHEMBL5778323 0.89 SLC2A1 (0.49) SLC2A1KCNH2CCNT1CDK9
SCHEMBL5778145 0.89 SLC2A1 (0.47) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL5775479 0.87 SLC2A1 (0.48) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL5778699 0.86 SLC2A1 (0.58) SLC2A1KCNH2DRD2SIGMAR1MEN1
SCHEMBL5774194 0.86 SLC2A1 (0.49) SLC2A1KCNH2CCNT1CDK9SIGMAR1
SCHEMBL4268797 0.84 SLC2A1 (0.65) SLC2A1KCNH2
SCHEMBL5772116 0.84 SLC2A1 (0.48) SLC2A1KCNH2DRD2SIGMAR1MEN1
SCHEMBL5773652 0.83 SLC2A1 (0.47) SLC2A1KCNH2DRD4DRD2SIGMAR1
SCHEMBL5775396 0.83 KCNH2 (0.49) SLC2A1KCNH2DRD2SIGMAR1
SCHEMBL5777366 0.83 LMNA (0.47) SLC2A1KCNH2DRD4DRD2SIGMAR1

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