SCHEMBL2650140

SCHEMBL2650140

COc1cc(OCCN2CCc3ccccc3C2)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAOB P27338 4/20 0.54
MAOA P21397 2/20 0.54
ABCB1 P08183 4/20 0.54
DRD2 P14416 1/20 0.52
HTT P42858 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NPC1 O15118 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
SCHEMBL2652406 0.86 GCGR (0.61) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL15475020 0.83 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1MAOB
SCHEMBL15474972 0.80 LTA4H (0.54) ALDH1A1MAOBPOLB
SCHEMBL2652409 0.79 MAOB (0.57) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL15474582 0.78 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL2010038 0.76 POLB (0.54) KMT2AKDM4EALDH1A1MAPTMAOB
SCHEMBL15474961 0.75 ALDH1A1 (0.56) TDP1ALDH1A1L3MBTL1MAOBCYP1A2
SCHEMBL219973 0.75 NOS3 (0.52) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL27981986 0.75 MEN1 (0.51) GCGRMEN1KMT2ATDP1KDM4E
SCHEMBL7253798 0.74 L3MBTL1 (0.71) 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