SCHEMBL1008924

SCHEMBL1008924

NCCc1ccc2c(c1)[N]C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.38
KDM4E B2RXH2 4/20 0.38
ADRA2A P08913 3/20 0.38
SLC6A2 P23975 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
RECQL P46063 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 2/20 0.38
PNMT P11086 1/20 0.38
TP53 P04637 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1009154 0.90 MAOA (0.36) CYP2D6CYP1A2CYP2A6CYP2C19HTR2A
SCHEMBL1008114 0.89 MAOA (0.38) HTR1ACYP2D6CYP1A2CYP2C19HTR2A
SCHEMBL6379192 0.83 MAOA (0.33)
SCHEMBL5324714 0.81 MAOA (0.36) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL6379152 0.81 MAOA (0.36)
SCHEMBL6379967 0.80 MAOA (0.38) DRD2DRD4DRD3HTR1AALOX15
SCHEMBL5312605 0.79 CA12 (0.34) MAPTRECQLALDH1A1HSD17B10
SCHEMBL1695075 0.77 CA9 (0.38) KDM4EMAPK1MAPTRECQLTDP1
SCHEMBL11800759 0.72 TAAR1 (0.50) TAAR1KDM4EADRA2ASLC6A2MAPK1
SCHEMBL4652326 0.71 CYP19A1 (0.48) MAPK1DRD2DRD1DRD4DRD5

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 6 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-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