SCHEMBL2652406

SCHEMBL2652406

COc1cc(OCCN2CCc3ccccc3C2)ccc1C=NN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 4/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ABCB1 P08183 3/20 0.51
MAOB P27338 3/20 0.50
MAOA P21397 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
DRD2 P14416 2/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL2650140 0.86 GCGR (0.59) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL7229588 0.81 KDM4E (0.52) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL7230848 0.80 MAOB (0.51) KMT2ATDP1KDM4EMAPTALDH1A1
SCHEMBL7229718 0.78 GCGR (0.66) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL2652409 0.77 MAOB (0.57) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL7239058 0.76 KDM4E (0.54) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL219973 0.75 NOS3 (0.52) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL7253739 0.74 L3MBTL1 (0.64) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL3860629 0.73 KDM4E (0.69) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL27981986 0.73 MEN1 (0.51) GCGRMEN1KMT2ATDP1KDM4E

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