SCHEMBL4352206

SCHEMBL4352206

Cc1cc(C(=O)N2CC3(C)CN(C(=O)c4cc(C)c5c(c4)OC(C)(C)O5)CC(C)(C2)C3=O)cc2c1OC(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ACACB O00763 3/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CCR8 P51685 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4354062 0.86 ALDH1A1 (0.37) ALDH1A1NPSR1ACACBPOLBHPGD
SCHEMBL4358658 0.77 GAA (0.34) GAAALDH1A1NPSR1KMT2AALOX15
SCHEMBL4347288 0.76 GAA (0.47) GAAALDH1A1KMT2AALOX15MAPT
SCHEMBL10521823 0.74 TPMT (0.39) ALDH1A1KMT2AALOX15MEN1TSHR
SCHEMBL4345604 0.71 GAA (0.50) GAAALDH1A1KMT2AALOX15MAPT
SCHEMBL4353434 0.69 HPGD (0.61) GAAALDH1A1KMT2ATSHRPOLB
SCHEMBL4351639 0.69 HPGD (0.59) GAAALDH1A1MAPTTSHRHPGD
SCHEMBL4348067 0.67 GAA (0.43) GAAALDH1A1KMT2AALOX15MEN1
SCHEMBL4346468 0.66 GAA (0.41) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL4354055 0.65 HPGD (0.41) GAAALDH1A1KMT2AMEN1LMNA

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-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP claimed
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP disclosed