SCHEMBL8630838

SCHEMBL8630838

NC[C@@H]1C[C@@H](CN)[C@@H](CN)[C@@H]1CN

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.38
GABRR2 P28476 1/20 0.38
HTR2C P28335 14/20 0.33
HTR2B P41595 13/20 0.33
HTR2A P28223 10/20 0.33
MAOB P27338 2/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20876404 0.81
SCHEMBL4788629 0.81
SCHEMBL6758042 0.67
SCHEMBL8749649 0.67
SCHEMBL13178820 0.67
SCHEMBL8215655 0.67
SCHEMBL8749617 0.67
SCHEMBL22241265 0.67
SCHEMBL764321 0.67
SCHEMBL21159396 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817777-A SEQUESTERING AMERSHAM INTERNATIONAL PLC (GB) 1998-10-06 US disclosed
EP-0668855-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS FOR USE AS CHELATING AGENTS AMERSHAM INTERNATIONAL plc (GB) 1995-08-30 EP disclosed
WO-1994011339-A1 SUBSTITUTED CYCLOPENTANE COMPOUNDS FOR USE AS CHELATING AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1994-05-26 WO disclosed