SCHEMBL8185029

SCHEMBL8185029

CN1CCc2c(N)cc(I)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
SLC6A4 P31645 1/20 0.39
DRD1 P21728 3/20 0.35
DRD5 P21918 3/20 0.35
DRD2 P14416 2/20 0.35
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ADORA1 P30542 1/20 0.33
RAD52 P43351 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL28811771 0.79 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL29843380 0.79 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL29507103 0.79 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL23022136 0.79 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL24773419 0.76 MAOA (0.40) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL6293854 0.73 L3MBTL1 (0.44) MAPTMEN1KMT2A
SCHEMBL30878677 0.71 MAOA (0.57) MAOAMAOBDRD1DRD5DRD2
SCHEMBL7800002 0.71 MAOA (0.57) MAOAMAOBDRD1DRD5DRD2
SCHEMBL22450600 0.71 MAOA (0.55) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL8189637 0.70 ESR1 (0.49)

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-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed