SCHEMBL4354055

SCHEMBL4354055

CC12CN(C(=O)c3ccc4c(c3)OC(C3CC3)C(C3CC3)O4)CC(C)(CN(C(=O)c3ccc4c(c3)OC(C3CC3)C(C3CC3)O4)C1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4345617 0.88 HPGD (0.42) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4346468 0.84 GAA (0.41) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4351639 0.78 HPGD (0.59) HPGDTSHRSMN1; SMN2GAAALDH1A1
SCHEMBL4353434 0.78 HPGD (0.61) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4341694 0.78 HPGD (0.42) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4350306 0.78 HPGD (0.42) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4350374 0.77 HPGD (0.41) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4349432 0.72 HPGD (0.40) HPGDTSHRSMN1; SMN2GAAKMT2A
SCHEMBL4347278 0.68 HPGD (0.59) HPGDGAAKMT2AMEN1LMNA
SCHEMBL4353493 0.67 HPGD (0.43) HPGDTSHRSMN1; SMN2GAAKMT2A

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