SCHEMBL3645919

SCHEMBL3645919

NC(=O)CCNC(=O)c1cccc2occc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
NSD2 O96028 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL3647331 0.83 MAOB (0.59) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3647326 0.83 HPGD (0.44) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3645922 0.82 MAOB (0.45) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3641408 0.81 OPRM1 (0.39) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3645101 0.81 LMNA (0.48) MAOBHPGDMRGPRX1MEN1KMT2A
SCHEMBL3645972 0.80 CYP2C19 (0.40) MAOBHPGDTSHRNSD2KMT2A
SCHEMBL3640414 0.80 TSHR (0.40) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3640646 0.80 MTNR1A (0.43) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3645917 0.80 TSHR (0.41) MAOBHPGDTSHRMTNR1AMTNR1B
SCHEMBL3647058 0.80 HPGD (0.39) MAOBHPGDNSD2MTNR1AMTNR1B

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