SCHEMBL1457699

SCHEMBL1457699

COc1ccc(CNC(=O)OC2=NOC3(CCN(C(=S)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
NPY2R P49146 1/20 0.36
AKR1C3 P42330 1/20 0.36
NPC1 O15118 1/20 0.35
GFER P55789 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 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
SCHEMBL1457630 0.89 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL5120134 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL1457183 0.88 HCRTR1 (0.42) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL1457068 0.88 MEN1 (0.40) KMT2AMAPTHTTMEN1POLB
SCHEMBL1457254 0.87 LMNA (0.40) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL1457132 0.86 PDGFRB (0.43) SMN1; SMN2KMT2APDGFRBPDGFRAMAPT
SCHEMBL1457755 0.85 PDGFRB (0.43) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL1457697 0.85 KMT2A (0.45) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL1457496 0.84 ALDH1A1 (0.45) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA
SCHEMBL1457238 0.84 ALDH1A1 (0.41) SMN1; SMN2LMNAKMT2APDGFRBPDGFRA

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 5 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-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