SCHEMBL1456891

SCHEMBL1456891

COc1ccc(CNC(=O)OC2=NOC3(CCN(C(=S)Nc4cccc5ccccc45)CC3)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL1457697 0.92 KMT2A (0.45) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457551 0.90 ALDH1A1 (0.41) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457238 0.90 ALDH1A1 (0.41) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457159 0.90 GAA (0.41) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457524 0.90 ALDH1A1 (0.42) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457254 0.89 LMNA (0.40) PDGFRBPDGFRAGAAALDH1A1KMT2A
SCHEMBL5125515 0.88 L3MBTL1 (0.43) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457496 0.88 ALDH1A1 (0.45) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL1457755 0.85 PDGFRB (0.43) PDGFRBPDGFRAGAAALDH1A1MEN1
SCHEMBL1457253 0.85 ALDH1A1 (0.53) GAAALDH1A1MEN1KMT2AKDM4E

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