SCHEMBL7301681

SCHEMBL7301681

CN(C)CCCOc1ccc(C2Sc3ccccc3N(C)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 2/20 0.48
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
ABCB11 O95342 2/20 0.44
LMNA P02545 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC22A1 O15245 1/20 0.44
CACNA1F O60840 1/20 0.44
ABCB1 P08183 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1A P35348 1/20 0.44
SCN1A P35498 1/20 0.44
SCN4A P35499 1/20 0.44
HTT P42858 1/20 0.44
SCN7A Q01118 1/20 0.44
CACNA1D Q01668 1/20 0.44
PLAUR Q03405 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL7294678 0.85 CACNA1S (0.52) CACNA1SCYP3A4ALDH1A1TSHRABCB11
SCHEMBL7301878 0.81 CACNA1S (0.49) CACNA1SCYP3A4ALDH1A1TSHRABCB11
Fumaric Acid SCHEMBL10675579 0.80 MEN1 (0.41) CACNA1SALDH1A1MEN1KMT2ACACNA1B
Fumaric Acid SCHEMBL10675566 0.80 MEN1 (0.41) CACNA1SALDH1A1MEN1KMT2ACACNA1B
Fumaric Acid SCHEMBL10674238 0.79 KDM4E (0.41) CACNA1SCYP3A4LMNALSSMEN1
Fumaric Acid SCHEMBL10674260 0.79 KDM4E (0.41) CACNA1SCYP3A4LMNALSSMEN1
SCHEMBL7288133 0.78 CACNA1S (0.50) CACNA1SCYP3A4ALDH1A1TSHRABCB11
Oxalic Acid SCHEMBL9749896 0.78 CYP3A4 (0.52) CYP3A4ALDH1A1TSHRLMNAHTT
Hydrochloric Acid SCHEMBL9749749 0.78 BCHE (0.43) CACNA1SCYP3A4ALDH1A1TSHRABCB11
SCHEMBL7290621 0.77 MEN1 (0.50) ALDH1A1LMNAHTTLSSMEN1

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
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed
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