SCHEMBL4260720

SCHEMBL4260720

N#Cc1cccc(CN2CC3(CCN(C(=S)Nc4cccc(C(F)(F)F)c4)CC3)OC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.44
XBP1 P17861 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
TACR1 P25103 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4266724 0.85 LMNA (0.40) KMT2ALMNAUSP2CYP2C19CYP1A2
SCHEMBL1086354 0.81 SIRT2 (0.42) USP2CYP2C19CYP1A2CYP3A4TACR1
SCHEMBL1086185 0.80 MEN1 (0.45) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL1086102 0.78 FAAH (0.56) USP2CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL1086591 0.77 GRM2 (0.44) KMT2ATSHRFAAH
SCHEMBL1086353 0.77 SIRT2 (0.45) USP2CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL1086439 0.76 MAPK1 (0.48) USP2CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL1086171 0.75 CYP3A4 (0.45) MEN1KMT2AUSP2CYP2C19CYP1A2
SCHEMBL1085948 0.74 POLB (0.46) MEN1KMT2ALMNAPOLBKDM4E
SCHEMBL1086699 0.74 SIRT2 (0.41) CYP2C19CYP1A2TSHRTACR1FAAH

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 2 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