SCHEMBL4630336

SCHEMBL4630336

COc1cc(Br)c(C)c(CC2=NCCN2)c1.FC(F)(F)c1cccc(CC2=NCCN2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.47
HTR1B P28222 5/20 0.45
HTR1D P28221 5/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTGIR P43119 1/20 0.37
NR1H2 P55055 1/20 0.35

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
SCHEMBL953083 0.82 TAAR1 (0.68) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL954687 0.82 HTR1B (0.52) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL4629208 0.78 HTR1D (0.56) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL4630337 0.77 SLC6A2 (0.35) LMNAMAPTSLC6A2SLC6A4NR1H2
SCHEMBL26078566 0.76 TAAR1 (0.68) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL26078498 0.73 HTR1B (0.55) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL954867 0.70 TAAR1 (0.70) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL4629641 0.70 TAAR1 (0.55) TAAR1HTR1DADRA2AADRA2BADRA2C
SCHEMBL26078393 0.68 TAAR1 (0.49) TAAR1HTR1BHTR1DADRA2AADRA2B
SCHEMBL26078511 0.67 TAAR1 (0.65) TAAR1HTR1BHTR1DADRA2AADRA2B

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-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed