SCHEMBL3822149

SCHEMBL3822149

COc1cccc2c1CCN2Cc1ncc[nH]1.COc1cccc2c1N(Cc1ncc[nH]1)CC2.Cc1ccc2c(c1)N(Cc1ncc[nH]1)CC2.Cc1cccc2c1N(Cc1ncc[nH]1)CC2.Clc1cccc2c1N(Cc1ncc[nH]1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK2 O60674 1/20 0.30
LCK P06239 1/20 0.30
KDR P35968 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
SCHEMBL3829776 0.90 FNTA (0.36) MAPTKDM4ETDP1HDAC1HDAC6
SCHEMBL3823511 0.86 FNTA (0.38) HTR6MAPTKDM4ETDP1HDAC1
SCHEMBL4254890 0.82 HTR6 (0.35) HTR6MAPTHDAC1HDAC6GAA
SCHEMBL1735365 0.78 ALOX15 (0.42) MAPTKDM4ETDP1ALDH1A1FNTA
SCHEMBL1734486 0.77 ADRA2A (0.44) HTR6MAPTKDM4ETDP1HDAC1
SCHEMBL1735276 0.75 ALOX15 (0.45) MAPTKDM4ETDP1HDAC1HDAC6
SCHEMBL1735350 0.75 TAAR1 (0.48) MAPTKDM4ETDP1GAAALDH1A1
SCHEMBL1735438 0.75 TAAR1 (0.48) MAPTKDM4ETDP1GAAALDH1A1
SCHEMBL1734436 0.70 TAAR1 (0.49) HTR6MAPTKDM4ETDP1GAA
SCHEMBL1734439 0.70 TAAR1 (0.49) HTR6MAPTKDM4ETDP1GAA

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-2086959-A1 SUBSTITUTED 2-IMIDAZOLES AS MODULATORS OF THE TRACE AMINE ASSOCIATED RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-12 EP claimed
WO-2008052907-A1 SUBSTITUTED 2-IMIDAZOLES AS MODULATORS OF THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed