SCHEMBL19823077

SCHEMBL19823077

c1ccc2c(c1)CCN(CN1CCc3ccccc3C1)C2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
DRD3 P35462 3/20 0.51
HTR2A P28223 2/20 0.51
HTR2B P41595 2/20 0.51
CARM1 Q86X55 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50

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
SCHEMBL19677028 0.84 KDM4E (0.54) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL14067117 0.83 HDAC3 (0.54) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL16258687 0.83 KDM4E (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL31841937 0.83 MAOA (0.57) KDM4EALDH1A1MAOAMAOBHTR1A
SCHEMBL95476 0.83 KDM4E (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL24122123 0.83 KDM4E (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL13271050 0.83 KDM4E (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL153999 0.83 MAOA (0.57) KDM4EALDH1A1MAOAMAOBHTR1A
Hydrochloric Acid SCHEMBL7551070 0.81 MAOA (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL335190 0.79 KDM4E (0.58) KDM4EALDH1A1MAOAMAOBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072917-B1 PREPREG, FIBRE-REINFORCED COMPOSITE MATERIAL, AND PARTICLE-CONTAINING RESIN COMPOSITION JXTG NIPPON OIL & ENERGY CORP (JP) 2018-07-18 EP disclosed
EP-2980134-B1 PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND RESIN COMPOSITION CONTAINING PARTICLES JXTG NIPPON OIL & ENERGY CORP (JP) 2018-01-31 EP disclosed