SCHEMBL3829776

SCHEMBL3829776

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
TRPM5 Q9NZQ8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CDK9 P50750 2/20 0.33
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3822149 0.90 HTR6 (0.35) FNTAFNTBSLC22A12TRPM5ALDH1A1
SCHEMBL1735276 0.84 ALOX15 (0.45) FNTAFNTBSLC22A12TAAR1TRPM5
SCHEMBL1735350 0.84 TAAR1 (0.48) FNTAFNTBTAAR1ALDH1A1KDM4E
SCHEMBL1735438 0.84 TAAR1 (0.48) FNTAFNTBTAAR1ALDH1A1KDM4E
SCHEMBL1734458 0.75 HTR2A (0.48) FNTAFNTBTAAR1TRPM5HDAC1
SCHEMBL1735373 0.75 ALOX15 (0.45) FNTAFNTBTAAR1ALDH1A1ALOX15
SCHEMBL1734413 0.72 TAAR1 (0.55) FNTAFNTBTAAR1TRPM5ALDH1A1
SCHEMBL3823511 0.72 FNTA (0.38) FNTAFNTBTAAR1TRPM5KDM4E
SCHEMBL1734439 0.72 TAAR1 (0.49) FNTAFNTBTAAR1KDM4EALOX15
SCHEMBL1734436 0.72 TAAR1 (0.49) FNTAFNTBTAAR1ALDH1A1KDM4E

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