SCHEMBL3645968

SCHEMBL3645968

O=C(CCc1ccccc1)NCCNC(=O)c1cccc2occc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NLRP1 Q9C000 1/20 0.43

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
SCHEMBL3648208 0.88 HPGD (0.46) MEN1KMT2AUSP2POLBGAA
SCHEMBL3648211 0.87 NPC1 (0.49) MEN1KMT2AUSP2POLBGAA
SCHEMBL3646932 0.85 HPGD (0.64) MEN1KMT2AUSP2POLBGAA
SCHEMBL3645974 0.85 POLB (0.55) MEN1KMT2AUSP2POLBGAA
SCHEMBL3645103 0.83 CTDSP1 (0.57) MEN1KMT2AUSP2POLBGAA
SCHEMBL3645101 0.82 LMNA (0.48) MEN1KMT2APOLBGAALMNA
SCHEMBL3645917 0.79 TSHR (0.41) MEN1KMT2AUSP2POLBGAA
SCHEMBL3646929 0.79 MEN1 (0.42) MEN1KMT2AUSP2POLBGAA
SCHEMBL3645922 0.78 MAOB (0.45) MEN1KMT2AUSP2POLBGAA
SCHEMBL3640411 0.78 MAOB (0.41) MEN1KMT2AUSP2POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP disclosed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed