SCHEMBL6584817

SCHEMBL6584817

O=C1CCc2cc(OCCCCCCl)ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.67
MAOA P21397 17/20 0.67
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL6585538 0.99 MAOB (0.68) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL426467 0.94 MAOB (0.70) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL6583075 0.92 MAOB (0.67) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL6588324 0.89 MAOB (0.70) MAOBMAOA
SCHEMBL13111961 0.88 MAOB (0.65) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL11273468 0.88 MAOB (0.65) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL11276922 0.88 MAOB (0.65) MAOBMAOAPDE3BPDE3AHTR1A
SCHEMBL238817 0.87 MAOB (0.72) MAOBMAOA
SCHEMBL29545160 0.87 MAOB (0.72) MAOBMAOA
SCHEMBL8212260 0.87 MAOB (0.72) MAOBMAOADRD2

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-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed