SCHEMBL7413168

SCHEMBL7413168

O=C(CBr)N1CCCSc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.59
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 1/20 0.49
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
AVPR2 P30518 1/20 0.47
AVPR1A P37288 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29876158 0.87 DRD4 (0.61) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL10664492 0.85 DRD4 (0.57) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL10668654 0.84 DRD4 (0.59) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL9629591 0.82 DRD4 (0.57) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL10352868 0.81 NOTUM (0.82) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL10353021 0.78 NOTUM (0.54) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL7417652 0.77 POLB (0.61) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL7408404 0.77 DRD4 (0.49) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL19888977 0.77 NOTUM (0.65) DRD4NOTUMKDM4EPOLBL3MBTL1
SCHEMBL9628923 0.77 NOTUM (0.79) DRD4NOTUMKDM4EPOLBL3MBTL1

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 disclosed