SCHEMBL16797952

SCHEMBL16797952

OCc1ccc(N2CCN(Cc3cccs3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.52
DRD3 P35462 7/20 0.52
DRD2 P14416 5/20 0.52
DRD5 P21918 4/20 0.49
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.47
DRD1 P21728 1/20 0.46
SMO Q99835 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL1644981 0.77 MAPT (0.66) DRD4DRD3DRD2DRD5ME2
SCHEMBL844082 0.76 GAA (0.52) DRD4DRD3DRD2DRD5EPHX2
SCHEMBL16797864 0.75 DRD4 (0.59) DRD4DRD3DRD2DRD5ME2
SCHEMBL11988947 0.75 SMO (0.52) DRD4DRD3DRD2DRD5DRD1
SCHEMBL19299999 0.73 LMNA (0.71) DRD3DRD2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3086082 0.73 AOC3 (0.54) SMOALDH1A1SMN1; SMN2MAPT
SCHEMBL17221698 0.72 CYP11B1 (0.57) HTTSMOALDH1A1SMN1; SMN2KDM4E
SCHEMBL30827430 0.72 CYP11B1 (0.57) HTTSMOALDH1A1SMN1; SMN2KDM4E
SCHEMBL857231 0.72 CYP11B1 (0.57) HTTSMOALDH1A1SMN1; SMN2KDM4E
SCHEMBL987818 0.72 AOC3 (0.55) SMOALDH1A1KDM4EPOLBMAPT

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-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 EP disclosed
WO-2015082474-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-06-11 WO disclosed