SCHEMBL4259608

SCHEMBL4259608

O=C(NCc1ccc(F)cc1)ON1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)C(=O)O2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
APLNR P35414 1/20 0.36
GLP1R P43220 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL1086775 0.86 NPSR1 (0.45) TP53TACR2TACR1ADRB2APLNR
SCHEMBL4262418 0.81 MEN1 (0.41) TP53LMNATHRB
SCHEMBL4272713 0.78 TSHR (0.45) GRM2ALDH1A1
SCHEMBL1086172 0.77 TACR2 (0.42) TACR2TACR1GRM2ALDH1A1
SCHEMBL1086332 0.77 POLB (0.46) TACR2TACR1LMNAALDH1A1
SCHEMBL4259750 0.77 TSHR (0.40) GRM2ALDH1A1
SCHEMBL1086781 0.76 TACR2 (0.40) TACR2TACR1GRM2
SCHEMBL4269518 0.76 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL4266286 0.76 TACR2 (0.41) TP53TACR2TACR1
SCHEMBL4271658 0.76 TSHR (0.39) GRM2ALDH1A1

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-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