SCHEMBL2652409

SCHEMBL2652409

COc1cc(OCCN2CCc3ccccc3C2)ccc1C(=O)NN

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.57
GCGR P47871 1/20 0.56
MAOA P21397 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SIGMAR1 Q99720 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
ABCB1 P08183 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL7230855 0.81 MAOB (0.63) MAOBMAOAKMT2AKDM4EALDH1A1
SCHEMBL2650140 0.79 GCGR (0.59) MAOBGCGRMAOAMEN1KMT2A
SCHEMBL7229722 0.78 GCGR (0.64) GCGRMEN1KMT2ATDP1SIGMAR1
SCHEMBL2652406 0.77 GCGR (0.61) MAOBGCGRMAOAMEN1KMT2A
SCHEMBL219973 0.74 NOS3 (0.52) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL4040688 0.74 ABCB1 (0.64) MAOBMAOAABCB1
SCHEMBL4040694 0.74 ABCB1 (0.77) ABCB1
SCHEMBL7253739 0.73 L3MBTL1 (0.64) MAOBMAOAMEN1KMT2ATDP1
SCHEMBL7237603 0.73 MET (0.44) MAOBMAOA
SCHEMBL3860629 0.72 KDM4E (0.69) MEN1KMT2ATDP1KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed