SCHEMBL4709299

SCHEMBL4709299

c1ccc(Cc2cc3c(s2)CNCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.44
HTR2C P28335 4/20 0.44
KCNH2 Q12809 1/20 0.42
PNMT P11086 1/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
HTR6 P50406 3/20 0.40
HTR2A P28223 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR3A P46098 1/20 0.40
PARP11 Q9NR21 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL14136774 0.85 ADRA1D (0.38) HTR2BHTR2CPNMTADORA2AADORA1
SCHEMBL14136742 0.79 SYK (0.37) HTR2BHTR2CKCNH2PNMTCD44
SCHEMBL23460842 0.76 PNMT (0.40) KCNH2PNMTCD44MAOB
SCHEMBL22502985 0.76 PNMT (0.43) PNMTCD44MAOB
SCHEMBL29321156 0.70 PARP11 (0.54) HTR2BHTR2CPNMTCD44MAOB
SCHEMBL3252513 0.70 PARP11 (0.54) HTR2BHTR2CPNMTCD44MAOB
SCHEMBL28836952 0.70 PNMT (0.41) HTR2CPNMTCD44MAOB
SCHEMBL9437061 0.69 HTR2C (0.46) HTR2BHTR2CPNMTCD44MAOB
SCHEMBL12339922 0.69 HRH3 (0.40) PNMTALDH1A1ADORA2AADORA1
Hydrochloric Acid SCHEMBL27149019 0.69 PNMT (0.37) PNMTCHRM3ADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589970-A4 PHARMACEUTICAL COMPOSITIONS COMPRISING THIENO ¬2,3-C PYRIDINE DERITIVES AND USE THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-05-21 EP claimed
JP-2006516610-A 2006-07-06 JP claimed
EP-1589970-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING THIENO [2,3-C]PYRIDINE DERITIVES AND USE THEREOF Rimonyx Pharmaceuticals Ltd. (IL) 2005-11-02 EP claimed
WO-2004069149-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING THIENO[2,3-C]PYRIDINE DERIVATIVES AND USE THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2004-08-19 WO claimed