SCHEMBL4780135

SCHEMBL4780135

Clc1ccc(CC[AsH2])cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
IDO1 P14902 3/20 0.54
SIGMAR1 Q99720 12/20 0.53
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2D6 P10635 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6111131 0.80 IDO1 (0.58) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL11219362 0.78 PNMT (0.64) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL7328450 0.76 PNMT (0.61) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL184185 0.76 TAAR1 (1.00) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL177296 0.76 PNMT (0.61) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL16404687 0.76 PNMT (0.61) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL3565937 0.76 PNMT (0.61) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL8494705 0.76 PNMT (0.61) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL2991065 0.76 PNMT (0.61) PNMTTAAR1IDO1SIGMAR1IGF1R
SCHEMBL6011638 0.76 IDO1 (0.67) PNMTTAAR1IDO1SIGMAR1IGF1R

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