SCHEMBL1009154

SCHEMBL1009154

NCCCc1ccc2c(c1)[N]C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
AKT2 P31751 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.33
HRH1 P35367 2/20 0.32
HTR6 P50406 1/20 0.31
PLK1 P53350 1/20 0.31
CDK2 P24941 1/20 0.31
TLR8 Q9NR97 2/20 0.30
HTR2A P28223 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
SCHEMBL1008114 0.95 MAOA (0.38) MAOAMAOBAKT2CYP1A2CYP2D6
SCHEMBL1008924 0.90 TAAR1 (0.38) CYP1A2CYP2D6CYP2C19CYP2A6HTR2A
SCHEMBL5324714 0.84 MAOA (0.36) MAOAMAOBHTR2A
SCHEMBL6379152 0.84 MAOA (0.36) MAOAMAOB
SCHEMBL6384114 0.83 MAOA (0.38) MAOAMAOBHTR2A
SCHEMBL6379967 0.83 MAOA (0.38) MAOAMAOBHTR2A
SCHEMBL6382291 0.81 MAOA (0.36) MAOAMAOB
SCHEMBL6379192 0.81 MAOA (0.33) MAOAMAOB
SCHEMBL5312605 0.77 CA12 (0.34)
SCHEMBL4652326 0.74 CYP19A1 (0.48) CYP2D6HRH1HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP claimed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO claimed
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP claimed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO claimed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP disclosed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO disclosed
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO disclosed