SCHEMBL7645209

SCHEMBL7645209

CCC(c1ccccc1)c1cccc(C#N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 3/20 0.35
HRH1 P35367 2/20 0.35
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL17836967 0.82 HTR2A (0.45) TSHRHTR2AHRH1LMNATAAR1
SCHEMBL19779659 0.81 TSHR (0.39) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL20621249 0.80 TSHR (0.43) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL5801541 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1TSHRKDM4EUSP2
SCHEMBL19768970 0.75 GABRA1 (0.40) ALDH1A1L3MBTL1HPGDTSHRLMNA
SCHEMBL28261050 0.75 TSHR (0.48) ALDH1A1HPGDTSHRKDM4EHSD17B10
SCHEMBL29184869 0.73 L3MBTL1 (0.37) ALDH1A1L3MBTL1HPGDTSHRKDM4E
SCHEMBL84270 0.73 TSHR (0.36) ALDH1A1L3MBTL1HPGDTSHRLMNA
SCHEMBL11205377 0.72 HTR2A (0.54) TSHRHTR2AHRH1LMNATAAR1
SCHEMBL11706315 0.71 HTR2A (0.45) ALDH1A1TSHRMAPTHTR2AHRH1

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-1263718-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062721-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO disclosed