SCHEMBL9829460

SCHEMBL9829460

COc1ccc(OC)c(C2(CCCN(C)C3CCCCC3)Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TP53 P04637 4/20 0.37
OPRM1 P35372 3/20 0.37
OPRL1 P41146 3/20 0.37
OPRK1 P41145 1/20 0.37
RAB9A P51151 1/20 0.34
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CACNA1S Q13698 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33

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
Oxalic Acid SCHEMBL9831207 0.96 MAPT (0.40) MAPTTP53OPRM1OPRL1OPRK1
Oxalic Acid SCHEMBL10672405 0.83 KDM4E (0.48) MAPTTP53RAB9ATSHRCYP1A2
SCHEMBL9830031 0.81 MAPT (0.37) MAPTRAB9ATSHRALDH1A1KMT2A
SCHEMBL9829352 0.80 SMPD1 (0.45)
SCHEMBL9829526 0.79 DRD2 (0.40) HTR7
SCHEMBL9831388 0.79 ALDH1A1 (0.37) MAPTTP53OPRM1OPRL1OPRK1
SCHEMBL9830047 0.79 SCN9A (0.34) MAPTOPRM1OPRL1OPRK1RAB9A
SCHEMBL10859447 0.79 MAPT (0.36) MAPTTP53OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL9829279 0.78 LSS (0.37) OPRM1OPRL1OPRK1CACNA1SALDH1A1
Fumaric Acid SCHEMBL10671612 0.77 MAPT (0.36) MAPTTP53OPRM1OPRL1OPRK1

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-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP claimed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US claimed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP claimed