SCHEMBL1457500

SCHEMBL1457500

O=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCN(C(=S)Nc3ccc(F)cc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 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
SCHEMBL1457145 0.92 NPC1 (0.47) POLBRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1457509 0.90 ALDH1A1 (0.42) POLBRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1457068 0.87 MEN1 (0.40) POLBKMT2AMEN1CYP2C19MAPT
SCHEMBL1457630 0.86 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2GAAKMT2AMEN1
SCHEMBL1457432 0.86 MEN1 (0.45) POLBSMN1; SMN2GAAKMT2AMEN1
SCHEMBL5111409 0.85 POLB (0.49) POLBRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1456931 0.85 MEN1 (0.50) POLBSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL1457555 0.85 GAA (0.44) POLBSMN1; SMN2GAAKMT2AMEN1
SCHEMBL1457213 0.84 KMT2A (0.43) POLBSMN1; SMN2GAAKMT2AMEN1
SCHEMBL1457531 0.83 KMT2A (0.37) POLBRAB9ASMN1; SMN2GAAKMT2A

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