SCHEMBL13857010

SCHEMBL13857010

COc1cc(F)c2nccc(NC(=O)N3CCC(NCc4cnc5c(O)cccc5n4)CC3)c2c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.38
SMO Q99835 5/20 0.38
HCAR2 Q8TDS4 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
KDM4E B2RXH2 2/20 0.35
OPRM1 P35372 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.34

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
SCHEMBL13857008 0.95 FAAH (0.42) FAAHHSD17B10LMNASMOHCAR2
SCHEMBL4268453 0.74 DRD4 (0.38) FAAHHCAR2KDM4E
SCHEMBL4268776 0.67 HCAR2 (0.41) FAAHHCAR2
SCHEMBL13857005 0.64 SLC2A1 (0.55)
SCHEMBL13857006 0.64 SLC2A1 (0.48)
SCHEMBL13857009 0.63 SLC2A1 (0.65)
SCHEMBL5772791 0.63 KCNH2 (0.37) KDM4EALDH1A1
SCHEMBL4270110 0.62 KCNH2 (0.49)
SCHEMBL4276463 0.61 TUBB1 (0.37) MAPTHTTKDM4EMAPK1
SCHEMBL13857012 0.60 SLC2A1 (0.55) HSD17B10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed