SCHEMBL7408404

SCHEMBL7408404

CC(O)CNCC(=O)N1CCCSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
NOTUM Q6P988 1/20 0.47
POLB P06746 3/20 0.45
CYP2D6 P10635 5/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
AVPR2 P30518 1/20 0.44
AVPR1A P37288 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM7 Q14831 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL7417652 0.79 POLB (0.61) DRD4NOTUMPOLBCYP2D6ALDH1A1
SCHEMBL7413168 0.77 DRD4 (0.59) DRD4NOTUMPOLBAVPR2AVPR1A
SCHEMBL29876158 0.76 DRD4 (0.61) DRD4NOTUMPOLBAVPR2AVPR1A
SCHEMBL10664492 0.75 DRD4 (0.57) DRD4NOTUMPOLBTP53MAPT
SCHEMBL7409294 0.74 GRM7 (0.53) DRD4NOTUMPOLBTP53MAPT
SCHEMBL10352868 0.74 NOTUM (0.82) DRD4NOTUMPOLBCYP2D6AVPR2
SCHEMBL10668654 0.74 DRD4 (0.59) DRD4NOTUMPOLBTP53MAPT
SCHEMBL9629591 0.72 DRD4 (0.57) DRD4NOTUMPOLBTP53MAPT
SCHEMBL7409297 0.71 POLB (0.66) DRD4POLBALDH1A1TP53MAPT
SCHEMBL10667697 0.71 POLB (0.42) DRD4POLBTP53MAPTL3MBTL1

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
JP-59104371-A None JP disclosed
US-4584292-A Antihypertensive 1,5-benzothiazepine derivatives and compositions thereof KOTOBUKI SEIYAKU CO., LTD. (JP) 1986-04-22 US disclosed
JP-S59104371-A 1,5-BENZOTHIAZEPINE DERIVATIVE, HYPOTENSOR CONTAINING IT AS ACTIVE INGREDIENT, AND ITS PREPARATION KOTOBUKI SEIYAKU KK 1984-06-16 JP disclosed