SCHEMBL9830625

SCHEMBL9830625

COc1ccc(OC)c(C2(CCCN3CCN(CCc4ccc(OC)c(OC)c4)CC3)Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
EBPL Q9BY08 1/20 0.46
HTR1A P08908 2/20 0.42
SLC6A4 P31645 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL9829526 0.90 DRD2 (0.40) SIGMAR1HTR1A
SCHEMBL9831340 0.83 EBP (0.45) EBPSIGMAR1TMEM97ADRA1DADRA1A
SCHEMBL9830031 0.81 MAPT (0.37)
Oxalic Acid SCHEMBL9829045 0.79 TDP1 (0.48)
Oxalic Acid SCHEMBL9829050 0.79 TDP1 (0.48)
SCHEMBL9829352 0.78 SMPD1 (0.45) ABCB1
Hydrochloric Acid SCHEMBL9828610 0.76 SMPD1 (0.46) ABCB1
Oxalic Acid SCHEMBL10672405 0.76 KDM4E (0.48) ADRA1AABCB1
SCHEMBL9830047 0.76 SCN9A (0.34)
SCHEMBL9830263 0.76 MAPT (0.51) ADRA1DADRA1AADRA1BHTR1ASLC6A4

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