SCHEMBL5011597

SCHEMBL5011597

Cc1ccc(CN2C(=O)OC3(CCCCC3)N2OC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5016359 0.82 ALDH1A1 (0.38) POLBCYP3A4CYP2C19EPHX2LMNA
SCHEMBL5012907 0.80 TSHR (0.46) EPHX2LMNASMN1; SMN2ALDH1A1
SCHEMBL4262050 0.74 TP53 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL5011711 0.70 MAPT (0.46) TP53CYP3A4CYP2C19LMNAMAPT
SCHEMBL1086060 0.67 EPHX2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL5011708 0.65 CYP1A2 (0.45) RAB9ANPC1TP53CYP2C19LMNA
SCHEMBL14491560 0.65 SMN1; SMN2 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A
SCHEMBL5011764 0.65 HTT (0.44) LMNAALDH1A1KMT2A
SCHEMBL14479537 0.65 CYP3A4 (0.48) RAB9ANPC1TP53POLBCYP3A4
SCHEMBL28146060 0.65 GAA (0.55) PLAAT3PLAAT5PLAAT2PLAAT4RAB9A

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-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-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