SCHEMBL4358658

SCHEMBL4358658

Cc1cc(C(=O)N2CC3(C)CN(C(=O)c4cc(C)c5c(c4)OC(N(C)C)CO5)CC(C)(C2)C3=O)cc2c1OCC(N(C)C)O2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL4354709 0.88 ALDH1A1 (0.34) ALDH1A1NPSR1NPC1RAB9AHPGD
SCHEMBL4350374 0.83 HPGD (0.41) GAAALDH1A1KMT2AHPGD
SCHEMBL4352206 0.77 GAA (0.39) GAAALDH1A1NPSR1KMT2ANPC1
SCHEMBL4343757 0.70 HPGD (0.42) GAAALDH1A1KMT2AHPGD
SCHEMBL4348067 0.67 GAA (0.43) GAAALDH1A1KMT2ANPC1HPGD
SCHEMBL4341694 0.66 HPGD (0.42) GAAALDH1A1KMT2AHPGD
SCHEMBL4351639 0.66 HPGD (0.59) GAAALDH1A1HPGD
SCHEMBL4353434 0.66 HPGD (0.61) GAAALDH1A1KMT2ANPC1HPGD
SCHEMBL4346468 0.65 GAA (0.41) GAAALDH1A1KMT2AHPGD
SCHEMBL4357783 0.65 ALDH1A1 (0.33) GAAALDH1A1NPSR1KMT2ANPC1

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