SCHEMBL9340446

SCHEMBL9340446

O=C(O)c1cn(CCN2CCCCC2)c2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
CNR2 P34972 9/20 0.50
CNR1 P21554 6/20 0.50
PLK1 P53350 2/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
ENPP2 Q13822 1/20 0.45
HRH2 P25021 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL9340471 0.83 CNR2 (0.70) CNR2CNR1PLK1MEN1KMT2A
SCHEMBL548607 0.83 CNR2 (0.70) CNR2CNR1PLK1MEN1KMT2A
Hydrochloric Acid SCHEMBL2035939 0.82 CNR2 (0.68) CNR2CNR1PLK1MEN1KMT2A
SCHEMBL12643110 0.81 CNR2 (0.69) CNR2CNR1PLK1
Hydrochloric Acid SCHEMBL2041733 0.80 CNR2 (0.67) CNR2CNR1PLK1
SCHEMBL4234228 0.79 CNR2 (0.50) CNR2CNR1PLK1ENPP2
SCHEMBL10086144 0.78 CNR2 (0.49) CNR2CNR1PLK1LMNA
SCHEMBL25084322 0.76 IDO1 (0.52) IDO1CNR2CNR1MEN1LMNA
SCHEMBL31323947 0.76 LMNA (0.64) IDO1CNR2CNR1MEN1LMNA
SCHEMBL9540544 0.75 PLK1 (0.66) CNR2CNR1PLK1MEN1KMT2A

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-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed