SCHEMBL7409294

SCHEMBL7409294

CC(NCCC(=O)N1CCCSc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.53
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD4 P21917 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.45
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7409297 0.78 POLB (0.66) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL10664492 0.77 DRD4 (0.57) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL10668654 0.76 DRD4 (0.59) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL29876158 0.76 DRD4 (0.61) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL7413168 0.74 DRD4 (0.59) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL10667697 0.74 POLB (0.42) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL7408404 0.74 DRD4 (0.49) GRM7POLBL3MBTL1DRD4MAPT
SCHEMBL9629591 0.72 DRD4 (0.57) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL10667350 0.72 POLB (0.46) POLBL3MBTL1DRD4MAPTTP53
SCHEMBL10667312 0.72 POLB (0.51) POLBL3MBTL1DRD4MAPTTP53

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
US-4584292-A Antihypertensive 1,5-benzothiazepine derivatives and compositions thereof KOTOBUKI SEIYAKU CO., LTD. (JP) 1986-04-22 US claimed