SCHEMBL4265584

SCHEMBL4265584

CCCCOc1ccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccc(I)cc2)C(=O)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.38
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL4257512 0.81 LMNA (0.48) MEN1KMT2AFAAHL3MBTL1NPC1
SCHEMBL4257403 0.81 TSHR (0.45) GRM2MEN1KMT2A
SCHEMBL4258569 0.77 MMP1 (0.43) GRM2MEN1KMT2AFAAHNPC1
SCHEMBL4265019 0.77 KMT2A (0.42) MEN1KMT2AFAAH
SCHEMBL4271922 0.72 GRM2 (0.38) GRM2FAAH
SCHEMBL4262167 0.72 MAPT (0.43) MEN1KMT2ANPC1
SCHEMBL4268039 0.71 TACR2 (0.47) KMT2AFAAH
SCHEMBL4258709 0.71 LMNA (0.46) FAAH
SCHEMBL4257406 0.71 HDAC6 (0.43)
SCHEMBL1086209 0.71 GRM2 (0.42) GRM2FAAH

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 1 patent. 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 disclosed