SCHEMBL3645974

SCHEMBL3645974

O=C(NCCNCCCc1ccccc1)c1cccc2occc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 7/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NLRP1 Q9C000 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
SLC6A5 Q9Y345 1/20 0.47
NLRP3 Q96P20 1/20 0.46
RAB9A P51151 5/20 0.46
CACNA1B Q00975 1/20 0.45

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
SCHEMBL3648211 0.93 NPC1 (0.49) POLBMEN1USP2GAAKMT2A
SCHEMBL3646932 0.89 HPGD (0.64) POLBMEN1USP2GAAKMT2A
SCHEMBL3645103 0.87 CTDSP1 (0.57) POLBMEN1USP2GAAKMT2A
SCHEMBL3645968 0.85 MEN1 (0.47) POLBMEN1USP2GAAKMT2A
SCHEMBL3648208 0.82 HPGD (0.46) POLBMEN1USP2GAAKMT2A
SCHEMBL3645101 0.81 LMNA (0.48) POLBMEN1GAAKMT2ANPC1
SCHEMBL3645917 0.80 TSHR (0.41) POLBMEN1USP2GAAKMT2A
SCHEMBL3640417 0.79 MAOB (0.40) POLBMEN1USP2GAAKMT2A
SCHEMBL3684834 0.78 USP2 (0.41) POLBMEN1USP2GAAKMT2A
SCHEMBL3648421 0.78 USP2 (0.41) POLBMEN1USP2GAAKMT2A

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