SCHEMBL7288133

SCHEMBL7288133

CN(C)CCCN1C(=O)C(c2ccc(OCCCCN(C)C3CCCCC3)cc2)Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 4/20 0.50
CYP3A4 P08684 4/20 0.42
KCNH2 Q12809 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
ABCB11 O95342 2/20 0.42
SLC22A1 O15245 2/20 0.42
HRH2 P25021 2/20 0.42
ADRA1A P35348 2/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CACNA1F O60840 1/20 0.42
ABCB1 P08183 1/20 0.42
SCN4A P35499 1/20 0.42
HTT P42858 1/20 0.42
SCN7A Q01118 1/20 0.42
CACNA1D Q01668 1/20 0.42
PLAUR Q03405 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
SCHEMBL7301878 0.97 CACNA1S (0.49) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL7288046 0.85 CACNA1S (0.47) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL7294678 0.84 CACNA1S (0.52) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL7291474 0.82 CACNA1S (0.46) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL10860217 0.82 CACNA1S (0.45) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL10856668 0.81 CACNA1S (0.46) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL7301681 0.78 CACNA1S (0.48) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL7282222 0.77 MAPT (0.46) CYP3A4KCNH2LMNAHTTMEN1
SCHEMBL7280040 0.77 CYP2D6 (0.52) CACNA1SCYP3A4KCNH2TSHRLMNA
SCHEMBL7293864 0.75 CACNA1S (0.42) CACNA1SCYP3A4KCNH2TSHRLMNA

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
US-4584300-A Platelet anti-aggregative- and calcium antagonistic -1,4-benzothiazin-3-one derivatives, compositions, and methods of use therefor SANTEN PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 US disclosed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 EP disclosed