SCHEMBL7288474

SCHEMBL7288474

COc1ccc(OCCCCN2CCC(C(=O)c3ccccc3)CC2)c(C2Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD4 P21917 1/20 0.40
CCR3 P51677 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7291296 0.89 CACNA1S (0.42) KCNH2POLBKMT2AKDM4EALDH1A1
SCHEMBL7289142 0.84 DRD2 (0.42) KMT2AKDM4EALDH1A1
SCHEMBL7288930 0.82 RAB9A (0.39) POLBMAPT
SCHEMBL10996184 0.81 CYP3A4 (0.47) KCNH2POLBKMT2AHRH3MAOB
SCHEMBL7281761 0.81 ABCB1 (0.42)
Oxalic Acid SCHEMBL10961999 0.81 CYP3A4 (0.45) KCNH2POLBKMT2AHRH3KDM4E
SCHEMBL10996823 0.79 CYP3A4 (0.45) KCNH2KMT2AHRH3MAPT
SCHEMBL10997041 0.79 CYP3A4 (0.45) KDM4EALDH1A1
SCHEMBL9748247 0.79 RAB9A (0.40) POLBMAPT
SCHEMBL10995981 0.79 CYP3A4 (0.44) KDM4EALDH1A1

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 claimed
EP-0116368-A1 Benzothiazine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-22 EP claimed