SCHEMBL4637181

SCHEMBL4637181

CN(CCC#N)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.67
TP53 P04637 3/20 0.67
CYP1A2 P05177 3/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
KCNH2 Q12809 1/20 0.57
CYP2D6 P10635 2/20 0.56
TSHR P16473 2/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
CYP3A4 P08684 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
PYCR1 P32322 1/20 0.45

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
SCHEMBL4719127 0.91 SIGMAR1 (0.55) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL2543003 0.86 PYCR1 (0.58) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL2830423 0.80 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL5681292 0.80 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2MEN1ALDH1A1
Bromide SCHEMBL1780137 0.79 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2MEN1ALDH1A1
Bromide SCHEMBL31601130 0.79 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL4719154 0.79 SIGMAR1 (0.50) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL14149704 0.78 SIGMAR1 (0.71) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL14846267 0.76 IGF1R (0.53) SIGMAR1TP53CYP1A2MEN1ALDH1A1
SCHEMBL14376706 0.76 CYP3A4 (0.77) CYP1A2MEN1ALDH1A1MAPTCYP2C19

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-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed