SCHEMBL9832244

SCHEMBL9832244

CN(C)CCCC1(c2ccc(OCCCN3CCC(C(=O)c4ccc(Cl)cc4)CC3)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
MAOB P27338 1/20 0.42
HRH2 P25021 14/20 0.42
HRH1 P35367 14/20 0.42

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
SCHEMBL9830856 0.82 TMEM97 (0.50) HRH3MAOB
SCHEMBL9830032 0.81 CACNA1B (0.43) HRH3HRH2HRH1
SCHEMBL9830080 0.80 ALDH1A1 (0.42) HRH2HRH1
Hydrochloric Acid SCHEMBL9829638 0.78 ALDH1A1 (0.41) HRH2HRH1
SCHEMBL9831388 0.77 ALDH1A1 (0.37) HRH3
Hydrochloric Acid SCHEMBL10674867 0.76 HRH3 (0.45) HRH3MAOBHRH2HRH1
Hydrochloric Acid SCHEMBL9829279 0.75 LSS (0.37)
Hydrochloric Acid SCHEMBL9828036 0.74 KCNH2 (0.45) HRH3MAOBHRH2HRH1
Oxalic Acid SCHEMBL10669220 0.74 KDM4E (0.48) HRH2
SCHEMBL9829983 0.72 CYP1A2 (0.40) HRH2HRH1

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