SCHEMBL3704355

SCHEMBL3704355

CC(c1ccc(Cl)c(Cl)c1)N1CCC(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
OGA O60502 1/20 0.46
SLC6A2 P23975 10/20 0.41
SLC6A3 Q01959 10/20 0.41
SLC6A4 P31645 9/20 0.41
OPRM1 P35372 1/20 0.40
CYP2D6 P10635 1/20 0.39
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31669101 0.84 SLC6A3 (0.55) PTGS1OGASLC6A2SLC6A3SLC6A4
SCHEMBL22206745 0.83 SLC6A3 (0.56) PTGS1OGASLC6A2SLC6A3SLC6A4
SCHEMBL22206766 0.83 SLC6A3 (0.56) PTGS1OGASLC6A2SLC6A3SLC6A4
SCHEMBL29585835 0.83 SLC6A3 (0.56) PTGS1OGASLC6A2SLC6A3SLC6A4
SCHEMBL29585404 0.83 SLC6A3 (0.56) PTGS1OGASLC6A2SLC6A3SLC6A4
SCHEMBL6206243 0.75 HSD11B1 (0.57) OGACYP2D6HSD11B1ALDH1A1
SCHEMBL6306254 0.75 HSD11B1 (0.57) OGACYP2D6HSD11B1ALDH1A1
SCHEMBL4601165 0.75 CYP2D6 (0.70) OPRM1CYP2D6HSD11B1ALDH1A1
SCHEMBL13283877 0.75 HSD11B1 (0.52) SLC6A2SLC6A3SLC6A4OPRM1CYP2D6
SCHEMBL1586528 0.75 CYP2D6 (0.70) OPRM1CYP2D6HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 WO disclosed