SCHEMBL9201018

SCHEMBL9201018

O=C([N]C1CC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 3/20 0.35
EPHX1 P07099 5/20 0.34
RECQL P46063 1/20 0.34
HSD11B2 P80365 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9199647 0.95 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4150384 0.93 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9200335 0.93 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9200752 0.92 CES2 (0.43) CES2CES1HDAC8HDAC6TSHR
SCHEMBL19971755 0.76 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5815510 0.76 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL19393778 0.74 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9298492 0.74 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL13273624 0.74 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1679605 0.72 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680478-A1 N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE 4H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-11-08 EP disclosed
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP disclosed
US-5359073-A Substituted-phenyl (N,N'-cycloalkyl/alkyl carboxamide)-1H/3H-imidazo[4,5-b]pyridine compounds as PAF antagonists G. D. SEARLE & CO. (US) 1994-10-25 US disclosed
WO-1994017063-A1 N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE 4H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-08-04 WO disclosed
WO-1994012500-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-06-09 WO disclosed
US-5262426-A Treatment of cardiovascular disorders, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-11-16 US disclosed