SCHEMBL9437820

SCHEMBL9437820

CCCN(CCNS(=O)(=O)c1ccc(C)cc1)CCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.54
RAB9A P51151 2/20 0.54
THRB P10828 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 3/20 0.48
PARP1 P09874 1/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MMP12 P39900 1/20 0.45
PRNP P04156 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9437774 0.95 PKM (0.52) PKMRAB9ATHRBLMNAKMT2A
SCHEMBL9437717 0.94 PKM (0.51) PKMRAB9ATHRBLMNAKMT2A
SCHEMBL9437844 0.80 MAPK1 (0.44) PKMKMT2AMEN1POLB
SCHEMBL9437740 0.79 PARP1 (0.60) PARP1MMP12PRNPDRD2DRD4
SCHEMBL9437746 0.75 TSHR (0.46) PKMKMT2AMEN1POLB
SCHEMBL4271023 0.74 MMP12 (0.70) PKMRAB9ATHRBLMNAKMT2A
SCHEMBL9437743 0.74 TSHR (0.43) PKMKMT2AMEN1POLB
SCHEMBL9437878 0.74 PARP1 (0.51) PARP1DRD2DRD4DRD3
SCHEMBL12691657 0.73 ALDH1A1 (0.63) KMT2AMEN1SMN1; SMN2
SCHEMBL9437826 0.73 PARP1 (0.49) PARP1DRD2DRD4DRD3

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
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed