SCHEMBL9830856

SCHEMBL9830856

CN(C)CCCC1(c2ccc(OCCCN3CCC(Cc4ccccc4)CC3)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
HRH3 Q9Y5N1 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.45
MAOB P27338 8/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 2/20 0.42
OPRM1 P35372 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
SCHEMBL9830032 0.84 CACNA1B (0.43) SIGMAR1HRH3SLC6A2SLC6A4KDM4E
SCHEMBL9830080 0.83 ALDH1A1 (0.42) SIGMAR1SLC6A2SLC6A4ACHEBCHE
SCHEMBL9832244 0.82 HRH3 (0.42) HRH3MAOB
SCHEMBL9831388 0.80 ALDH1A1 (0.37) HRH3KDM4EMEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL9829638 0.79 ALDH1A1 (0.41) SIGMAR1SLC6A2SLC6A4ACHEBCHE
Hydrochloric Acid SCHEMBL9829279 0.79 LSS (0.37) KDM4EMEN1KMT2AOPRM1
Oxalic Acid SCHEMBL10669220 0.76 KDM4E (0.48) KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9829276 0.74 ALDH1A1 (0.35) HRH3KDM4EMEN1KMT2A
SCHEMBL9829983 0.74 CYP1A2 (0.40) SIGMAR1SLC6A2SLC6A4BCHEKDM4E
SCHEMBL9828934 0.73 SMPD1 (0.49) KDM4E

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