SCHEMBL5240486

SCHEMBL5240486

COC(CNC(=O)OCc1ccccc1)OC.O=C(Cl)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.48
SYK P43405 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTSK P43235 3/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL652527 0.93 LMNA (0.60) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL30069334 0.82 LMNA (0.48) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL8073157 0.80 LMNA (0.51) ALDH1A1LMNASMN1; SMN2HTTNPC1
SCHEMBL15787506 0.80 LMNA (0.55) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL14019069 0.79 LMNA (0.66) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL5740648 0.79 LMNA (0.54) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL2518451 0.79 LMNA (0.54) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL2518455 0.79 LMNA (0.54) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL358091 0.79 LMNA (0.61) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9293928 0.78 LMNA (0.59) ALDH1A1LMNASMN1; SMN2HTTSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778692-A2 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE ABBOTT LABORATORIES (US) 2007-05-02 EP disclosed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP disclosed
WO-2006019660-A2 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE ABBOTT LABORATORIES (US) 2006-02-23 WO disclosed
EP-1626973-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO 3.2.0]HEPTANE IS AN EFFECTIVE ANALGESIC AGENT Abbott Laboratories (US) 2006-02-22 EP disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO disclosed
WO-2004106342-A1 (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE IS AN EFFECTIVE ANALGESIC AGENT ABBOTT LABORATORIES (US) 2004-12-09 WO disclosed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed