SCHEMBL4257384

SCHEMBL4257384

O=C1OC2(CCN(C(=S)Nc3cc(Cl)ccc3Cl)CC2)CN1Cc1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PHGDH O43175 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 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
SCHEMBL4263516 0.82 SMN1; SMN2 (0.47) LMNAPOLBKMT2ASMN1; SMN2GAA
SCHEMBL1086488 0.81 KDM4E (0.42) KMT2ASMN1; SMN2ALDH1A1TACR2TACR1
SCHEMBL1086328 0.81 POLB (0.47) LMNAPOLBKMT2ASMN1; SMN2GAA
SCHEMBL1086830 0.79 CCR8 (0.46) LMNAKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL1085987 0.79 HRH3 (0.45) LMNAKMT2ASMN1; SMN2ALDH1A1TACR2
SCHEMBL1086448 0.78 TACR1 (0.40) KMT2ASMN1; SMN2ALDH1A1NPC1TSHR
SCHEMBL4266724 0.78 LMNA (0.40) LMNAKMT2AALDH1A1
SCHEMBL1086125 0.78 KDM4E (0.45) KMT2ASMN1; SMN2ALDH1A1TSHRTACR2
SCHEMBL4261752 0.78 LMNA (0.48) LMNAKMT2APHGDHALDH1A1
SCHEMBL4256335 0.77 SIRT2 (0.42) SMN1; SMN2TSHRTACR2TACR1

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