SCHEMBL9829352

SCHEMBL9829352

COc1ccc(OC)c(C2(CCCN(C)CCc3cc(OC)c(OC)c(OC)c3)Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 12/20 0.45
ABCB1 P08183 2/20 0.38

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 SCHEMBL9830413 0.96 SMPD1 (0.42) SMPD1ABCB1
Oxalic Acid SCHEMBL9831243 0.83 SMPD1 (0.47) SMPD1ABCB1
Oxalic Acid SCHEMBL10672405 0.82 KDM4E (0.48) ABCB1
SCHEMBL9828526 0.82 SMPD1 (0.42) SMPD1ABCB1
Hydrochloric Acid SCHEMBL9828610 0.82 SMPD1 (0.46) SMPD1ABCB1
Hydrochloric Acid SCHEMBL9829234 0.82 SMPD1 (0.41) SMPD1ABCB1
Oxalic Acid SCHEMBL9831824 0.81 SMPD1 (0.46) SMPD1ABCB1
SCHEMBL9830031 0.81 MAPT (0.37)
SCHEMBL9829460 0.80 MAPT (0.38)
SCHEMBL9829526 0.79 DRD2 (0.40)

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