SCHEMBL8085185

SCHEMBL8085185

COc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)O)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.84
MAPT P10636 3/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
SLC2A1 P11166 1/20 0.59
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL3645707 0.91 TAAR1 (1.00) TAAR1MAPTALDH1A1SMN1; SMN2SLC2A1
SCHEMBL3641066 0.83 TAAR1 (0.70) TAAR1MAPTSMN1; SMN2TP53
SCHEMBL3647714 0.81 TAAR1 (0.82) TAAR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3638734 0.81 TAAR1 (0.82) TAAR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4257413 0.80 TAAR1 (0.81) TAAR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4254513 0.80 TAAR1 (0.79) TAAR1MAPTALDH1A1SMN1; SMN2
SCHEMBL4248051 0.79 TAAR1 (0.78) TAAR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL8085243 0.78 ALDH1A1 (0.68) TAAR1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3645068 0.76 TAAR1 (0.65) TAAR1MAPTSMN1; SMN2TP53
SCHEMBL3679927 0.76 TAAR1 (0.72) TAAR1

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
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed