SCHEMBL9033236

SCHEMBL9033236

Oc1ccc(N2CCN(CCCC3CC(OCc4ccccc4)c4ccsc4S3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.42
HTR7 P34969 4/20 0.39
SIGMAR1 Q99720 6/20 0.38
TMEM97 Q5BJF2 3/20 0.37
OPRM1 P35372 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7819620 0.80 DRD4 (0.40) DRD4HTR7SIGMAR1TMEM97
SCHEMBL8193386 0.78 ABCB1 (0.44) DRD4HTR7SIGMAR1TMEM97DRD2
SCHEMBL7809525 0.74 DRD4 (0.42) DRD4HTR7SIGMAR1TMEM97
SCHEMBL7822680 0.72 ABCB1 (0.41) HTR7SIGMAR1TMEM97DRD2DRD3
SCHEMBL5539548 0.68 SIGMAR1 (0.79) DRD4HTR7SIGMAR1OPRM1DRD2
SCHEMBL5537398 0.67 SIGMAR1 (0.80) DRD4HTR7SIGMAR1OPRM1DRD2
SCHEMBL7817734 0.66 HTR7 (0.44) DRD4HTR7SIGMAR1TMEM97DRD2
SCHEMBL5535823 0.66 SIGMAR1 (0.78) DRD4HTR7SIGMAR1OPRM1DRD2
SCHEMBL5544276 0.66 SIGMAR1 (0.78) DRD4HTR7SIGMAR1OPRM1DRD2
SCHEMBL7994710 0.66 HTR7 (0.41) DRD4HTR7DRD2DRD3ALDH1A1

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
EP-0749971-A1 Thiopyran derivatives SUNTORY LIMITED (JP) 1996-12-27 EP disclosed