SCHEMBL1457673

SCHEMBL1457673

COc1ccc(CNC(=O)OC2=NOC3(CCN(C(=S)NCc4ccc5c(c4)OCO5)CC3)C2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PDGFRB P09619 6/20 0.50
KIT P10721 2/20 0.50
PDGFRA P16234 2/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1457496 0.89 ALDH1A1 (0.45) PDGFRBKITPDGFRAALDH1A1LMNA
SCHEMBL1457126 0.88 ALDH1A1 (0.49) GAAPDGFRBKITPDGFRAKDR
SCHEMBL5115837 0.88 GAA (0.52) GAAPDGFRBKITPDGFRAKDR
SCHEMBL1457253 0.85 ALDH1A1 (0.53) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1457697 0.84 KMT2A (0.45) GAAPDGFRBPDGFRAALDH1A1LMNA
SCHEMBL1457630 0.84 SMN1; SMN2 (0.46) GAAPDGFRBPDGFRAALDH1A1LMNA
SCHEMBL1456969 0.84 FKBP1A (0.43) GAAPDGFRBPDGFRAALDH1A1LMNA
SCHEMBL1457133 0.83 NPC1 (0.44) PDGFRBALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1456946 0.83 FKBP1A (0.44) GAAPDGFRBPDGFRAALDH1A1LMNA
SCHEMBL1457211 0.83 FKBP1A (0.44) GAAPDGFRBPDGFRAALDH1A1LMNA

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-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