SCHEMBL1111000

SCHEMBL1111000

CC(CN)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
HTR2A P28223 3/20 0.34
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SCN4A P35499 3/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL15354786 0.82 IRAK4 (0.49) IRAK4HTR2AHTR7HTR1ADRD2
SCHEMBL906765 0.81 IRAK4 (0.39) IRAK4HTR2AHTR7HTR1ADRD2
SCHEMBL906775 0.79 IRAK4 (0.41) IRAK4HTR2AHTR7HTR1ADRD2
SCHEMBL30577788 0.79 IRAK4 (0.41) IRAK4HTR2AHTR7HTR1ADRD2
SCHEMBL3465386 0.78 IRAK4 (0.38) TAAR1IRAK4HTR2AHTR7HTR1A
SCHEMBL2767058 0.78 IRAK4 (0.38) TAAR1IRAK4HTR2AHTR7HTR1A
SCHEMBL14211421 0.78 IRAK4 (0.38) TAAR1IRAK4HTR2AHTR7HTR1A
SCHEMBL1986238 0.77 TAAR1 (0.41) TAAR1LOXL2HTR2AHTR2CHTR2B
SCHEMBL12302975 0.77 IRAK4 (0.36) IRAK4HTR2AHTR7HTR1ADRD2
SCHEMBL18599465 0.77 IRAK4 (0.36) IRAK4HTR2AHTR7HTR1ADRD2

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
EP-2278968-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-02 EP disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO disclosed