SCHEMBL1457487

SCHEMBL1457487

O=C(Nc1ccc(Cl)cn1)OC1=NOC2(CCN(C(=S)NCCCc3ccccc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NAMPT P43490 1/20 0.40
EPHX2 P34913 2/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5117619 0.87 NAMPT (0.43) LMNATSHRL3MBTL1ALDH1A1NAMPT
SCHEMBL1457171 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4E
SCHEMBL1457423 0.82 ALDH1A1 (0.44) LMNAALDH1A1EPHX2HTTMAPT
SCHEMBL1457432 0.79 MEN1 (0.45) LMNAALDH1A1HTTMAPTKDM4E
SCHEMBL1457417 0.73 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1457555 0.73 GAA (0.44) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL1457253 0.72 ALDH1A1 (0.53) LMNAALDH1A1HTTMAPTKDM4E
SCHEMBL5121926 0.72 TRPV4 (0.45) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1457531 0.71 KMT2A (0.37) LMNAL3MBTL1ALDH1A1HTTMAPT
SCHEMBL1457199 0.71 ALDH1A1 (0.43) LMNAALDH1A1NAMPTEPHX2MAPT

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-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP claimed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP disclosed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO disclosed