SCHEMBL7067553

SCHEMBL7067553

CN(CCC(Oc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 16/20 0.65
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52

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
SCHEMBL6823389 0.93 SLC6A9 (0.76) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6828527 0.91 SLC6A9 (0.69) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL7212952 0.91 SLC6A9 (0.74) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826588 0.88 SLC6A9 (0.84) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826463 0.88 SLC6A9 (0.67) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6823003 0.88 SLC6A9 (0.64) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6828540 0.88 SLC6A9 (0.67) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6826420 0.87 SLC6A9 (0.72) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL6924044 0.87 SLC6A9 (0.69) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9
SCHEMBL7229752 0.86 SLC6A9 (0.57) SLC6A9ALDH1A1CYP2D6MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294677-B1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PROD INC (US) 2004-11-03 EP disclosed
EP-1294677-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE Pfizer Products Inc. (US) 2003-03-26 EP disclosed
WO-2002000602-A1 BENZOPHENONES AND SULFONES AS INHIBITORS OF GLYCINE UPTAKE PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed