SCHEMBL9831340

SCHEMBL9831340

COc1ccc(C2(CCCN3CCN(CCc4cc(OC)c(OC)c(OC)c4)CC3)Sc3ccccc3N(C)C2=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
EBPL Q9BY08 1/20 0.40

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
SCHEMBL9830625 0.83 EBP (0.48) EBPSIGMAR1TMEM97ADRA1DADRA1A
Oxalic Acid SCHEMBL9831243 0.82 SMPD1 (0.47)
Oxalic Acid SCHEMBL9831824 0.81 SMPD1 (0.46)
SCHEMBL10852738 0.80 HTR7 (0.41) ADRA1DADRA1AADRA1B
SCHEMBL9829535 0.80 RAB9A (0.41)
SCHEMBL9829359 0.79 RAB9A (0.41)
Hydrochloric Acid SCHEMBL9829644 0.77 HRH1 (0.41)
SCHEMBL9828930 0.76 RAB9A (0.41)
SCHEMBL10857101 0.76 ABCB1 (0.42)
Oxalic Acid SCHEMBL9831327 0.76 CYP2D6 (0.45)

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