SCHEMBL4630337

SCHEMBL4630337

COc1cc(Br)c(C)c(CC2(C3(Cc4cccc(C(F)(F)F)c4Cl)NCCN3)NCCN2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CMA1 P23946 1/20 0.34
P2RX7 Q99572 10/20 0.33
KCNH2 Q12809 1/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 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
SCHEMBL4630336 0.77 TAAR1 (0.47) SLC6A2SLC6A4MAPTCRHR1LMNA
SCHEMBL4629210 0.76 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL12016021 0.62 P2RX7 (0.45) SLC6A2SLC6A4CMA1P2RX7NR1H2
SCHEMBL738218 0.62 FFAR4 (0.40) SLC6A2SLC6A4P2RX7
SCHEMBL488470 0.60 P2RX7 (0.53) SLC6A2SLC6A4P2RX7
SCHEMBL2632854 0.60 P2RX7 (0.49) SLC6A2SLC6A4P2RX7
SCHEMBL22232187 0.59 ALDH1A1 (0.45) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4630018 0.59 KMT2A (0.39) MEN1KMT2AALDH1A1MAPTP2RX7
SCHEMBL10540791 0.58 P2RX7 (0.46) SLC6A2SLC6A4P2RX7
SCHEMBL10747351 0.58 P2RX7 (0.46) SLC6A2SLC6A4P2RX7

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