SCHEMBL5015148

SCHEMBL5015148

COc1ccc([N+](=O)[O-])cc1CN1C(=O)OC2(CCCCC2)N1C(=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
F2 P00734 3/20 0.42
PLAU P00749 3/20 0.42
ELANE P08246 3/20 0.42
CTRB1 P17538 3/20 0.42
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNJ1 P48048 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
TACR1 P25103 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL1086828 0.77 ALDH1A1 (0.41) F2PLAUELANECTRB1MEN1
SCHEMBL5011747 0.73 KCNK3 (0.40) LMNAELANEKMT2AALDH1A1CYP1A2
SCHEMBL5011835 0.72 CYP1A2 (0.43) LMNAMAPTALDH1A1KDM4ECYP1A2
SCHEMBL1086148 0.68 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1KCNJ1
SCHEMBL1086864 0.66 KCNJ1 (0.39) LMNAHTTMAPTKMT2AALDH1A1
SCHEMBL1086417 0.65 ALDH1A1 (0.42) LMNAHTTMAPTMEN1KMT2A
SCHEMBL1086535 0.65 KCNJ1 (0.47) LMNAHTTMAPTMEN1KMT2A
SCHEMBL1086474 0.64 ALDH1A1 (0.44) LMNAHTTMAPTMEN1KMT2A
SCHEMBL5011879 0.64 KMT2A (0.38) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL1086473 0.63 MAPK1 (0.48) LMNATDP1MAPTMEN1KMT2A

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-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