SCHEMBL5012996

SCHEMBL5012996

COc1cccc(C2=NOC3(CCN(OC(=S)Nc4cccc(C(F)(F)F)c4)CC3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APEX1 P27695 1/20 0.40
GRIN2B Q13224 1/20 0.40
NPY2R P49146 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL5012872 0.92 KDM4E (0.41) L3MBTL1MAPTTDP1LMNARECQL
SCHEMBL5015777 0.91 TDP1 (0.44) MAPTTDP1ALDH1A1RECQLPOLB
SCHEMBL5012909 0.91 L3MBTL1 (0.44) L3MBTL1MAPTTDP1ALDH1A1GAA
SCHEMBL5012201 0.90 MAPT (0.43) MAPTTDP1LMNAMEN1KMT2A
SCHEMBL5012840 0.89 L3MBTL1 (0.44) L3MBTL1MAPTTDP1ALDH1A1GAA
SCHEMBL5012869 0.89 TDP1 (0.42) MAPTTDP1ALDH1A1GAAMEN1
SCHEMBL5128862 0.88 LMNA (0.51) L3MBTL1MAPTTDP1ALDH1A1GAA
SCHEMBL16175687 0.88 L3MBTL1 (0.44) L3MBTL1MAPTTDP1GAALMNA
SCHEMBL5014535 0.88 MAOA (0.46) MAPTTDP1ALDH1A1LMNARECQL
SCHEMBL5012955 0.87 L3MBTL1 (0.43) L3MBTL1MAPTTDP1ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed