SCHEMBL4349455

SCHEMBL4349455

CC1Oc2cc(I)c(C(=O)N3CC4(C)CN(C(=O)c5cc6c(cc5I)OC(C)C(C)O6)CC(C)(C3)C4)cc2OC1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL4341690 0.79 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL4353448 0.71
SCHEMBL4345604 0.69 GAA (0.50) ALDH1A1GAA
SCHEMBL4354896 0.66 HPGD (0.34)
SCHEMBL4345617 0.65 HPGD (0.42) ALDH1A1GAA
SCHEMBL4345772 0.62 HPGD (0.43) ALDH1A1GAA
SCHEMBL4345839 0.62 AVPR1A (0.33) ALDH1A1GAA
SCHEMBL4342175 0.60 HPGD (0.62) ALDH1A1GAA
SCHEMBL4347843 0.60 HPGD (0.61) ALDH1A1GAA
SCHEMBL4345627 0.60 ALDH1A1 (0.33) ALDH1A1GAA

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