SCHEMBL4263596

SCHEMBL4263596

N#Cc1ccccc1CN1CC2(CCN(OC(=O)Nc3cc(F)ccc3F)CC2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
CCR3 P51677 3/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4266286 0.81 TACR2 (0.41) TACR2TACR1CCR3MEN1KMT2A
SCHEMBL1086541 0.80 RIPK1 (0.41) TACR2TACR1POLBDPP4
SCHEMBL4258668 0.77 KCNJ1 (0.39) TACR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1086313 0.74 SIRT2 (0.44) TACR2TACR1DPP4SMN1; SMN2
SCHEMBL4268039 0.73 TACR2 (0.47) TACR2TACR1POLBKMT2AMAPT
SCHEMBL1086431 0.72 CCR5 (0.39) TACR2TACR1DPP4SMN1; SMN2
SCHEMBL4258562 0.72 KDM4E (0.37) TACR2TACR1MEN1KMT2AMAPT
SCHEMBL4265019 0.72 KMT2A (0.42) MEN1KMT2AMAPT
SCHEMBL1086098 0.71 RIPK1 (0.39) TACR2TACR1DPP4
SCHEMBL4258709 0.71 LMNA (0.46) CCR3SMN1; SMN2

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