SCHEMBL4257480

SCHEMBL4257480

CC(=O)c1cccc(NC(=S)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)O3)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
RIPK1 Q13546 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCR3 P51677 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
SCHEMBL4264555 0.84 ATM (0.52) ATMPOLBMAPTMEN1KMT2A
SCHEMBL4258714 0.81 RIPK1 (0.48) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL1086419 0.79 RIPK1 (0.48) POLBMAPTALDH1A1RIPK1
SCHEMBL1086248 0.78 RIPK1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1085767 0.77 RIPK1 (0.52) ATMPOLBMAPTMEN1KMT2A
SCHEMBL1086375 0.77 RIPK1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1086027 0.77 ALDH1A1 (0.41) ATMPOLBMAPTMEN1KMT2A
SCHEMBL1086392 0.77 RIPK1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1086418 0.77 RIPK1 (0.48) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1085734 0.74 RIPK1 (0.48) POLBMAPTMEN1KMT2AALDH1A1

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-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed