SCHEMBL4258709

SCHEMBL4258709

N#Cc1cccc(NC(=O)ON2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CCR3 P51677 9/20 0.45
CYP2C19 P33261 6/20 0.44
USP2 O75604 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 2/20 0.44
FAAH O00519 1/20 0.42
MAPK1 P28482 4/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL4263517 0.89 MAPK1 (0.37) LMNACCR3CYP2C19USP2CYP3A4
SCHEMBL4268039 0.87 TACR2 (0.47) CYP2C19USP2CYP3A4CYP1A2CYP2C9
SCHEMBL1086102 0.87 FAAH (0.56) CYP2C19USP2CYP3A4CYP1A2CYP2C9
SCHEMBL4271922 0.87 GRM2 (0.38) CYP2C19USP2CYP3A4CYP1A2ALDH1A1
SCHEMBL4264870 0.81 MAPK1 (0.38) CYP2C19USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL4257512 0.80 LMNA (0.48) LMNACCR3CYP2C19ALDH1A1CYP2D6
SCHEMBL4257403 0.80 TSHR (0.45) CYP2C19USP2CYP3A4CYP1A2CYP2C9
SCHEMBL4272823 0.80 OPRK1 (0.50) LMNACYP2C19USP2CYP3A4CYP1A2
SCHEMBL4266283 0.76 ALDH1A1 (0.43) LMNACYP2C19USP2CYP3A4CYP1A2
SCHEMBL4262418 0.75 MEN1 (0.41) LMNACCR3FAAHSMN1; 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-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