SCHEMBL4266286

SCHEMBL4266286

O=C(Nc1cc(F)ccc1F)ON1CCC2(CC1)CN(Cc1cccc(Br)c1)C(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CCR3 P51677 1/20 0.36
FAAH O00519 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
SCHEMBL1085866 0.87 FAAH (0.44) TACR2TACR1MEN1KMT2AFAAH
SCHEMBL4263596 0.81 TACR2 (0.38) TACR2TACR1MEN1KMT2ACCR3
SCHEMBL4268039 0.79 TACR2 (0.47) TACR2TACR1KMT2AFAAH
SCHEMBL4271658 0.77 TSHR (0.39) MEN1KMT2ASIGMAR1
SCHEMBL4271016 0.77 SIRT2 (0.37) TACR2TACR1MEN1KMT2A
SCHEMBL4262418 0.76 MEN1 (0.41) TP53MEN1KMT2ACCR3FAAH
SCHEMBL4259608 0.76 TP53 (0.39) TACR2TACR1TP53
SCHEMBL1086067 0.76 MEN1 (0.59) MEN1KMT2A
SCHEMBL4258668 0.76 KCNJ1 (0.39) TACR1MEN1KMT2A
SCHEMBL1086391 0.75 MEN1 (0.50) TACR2TACR1TP53MEN1KMT2A

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-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-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