Ethylbenzene

Ethylbenzene

SCHEMBL11065281

CCc1ccccc1.O=C1CCc2cc(OCCCCC(=O)N3CCNCC3)ccc2N1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.57
MAOB P27338 11/20 0.57
PDE3B Q13370 4/20 0.54
PDE3A Q14432 4/20 0.54
DRD2 P14416 5/20 0.47
DRD3 P35462 3/20 0.47
HTR2A P28223 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR7 P34969 2/20 0.47
DRD4 P21917 2/20 0.47

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
Ethylbenzene SCHEMBL11064674 0.89 MAOA (0.59) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11065270 0.84 MAOA (0.65) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11062067 0.83 DRD2 (0.64) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11058875 0.83 MAOA (0.65) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11062029 0.81 MAOA (0.55) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11063106 0.80 MAOA (0.61) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11068252 0.80 DRD2 (0.62) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11064667 0.79 MAOA (0.63) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11064423 0.78 MAOA (0.56) MAOAMAOBPDE3BPDE3ADRD2
SCHEMBL11066098 0.76 MAOB (0.66) MAOAMAOBPDE3BPDE3ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed