SCHEMBL8304050

SCHEMBL8304050

CCCCN1CC2CN(S(=O)(=O)c3ccc(C#N)cc3)CC(C1)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
TRPV4 Q9HBA0 2/20 0.42
PAX8 Q06710 1/20 0.41
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
CCR6 P51684 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
Hydrochloric Acid SCHEMBL8306472 0.99 HRH2 (0.46) HRH2HRH1HRH3TRPV4PAX8
SCHEMBL8306366 0.88 KMT2A (0.49) HRH2HRH1TRPV4MAPK1MEN1
SCHEMBL8303218 0.84 MEN1 (0.39) MAPK1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL8873628 0.84 L3MBTL1 (0.47) MAPK1MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL9235427 0.80 PKM (0.45) HRH2HRH1TRPV4ALDH1A1L3MBTL1
SCHEMBL9520302 0.79 RAB9A (0.45) MAPK1SMN1; SMN2DRD2DRD3L3MBTL1
SCHEMBL8303793 0.79 GAA (0.49) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9522648 0.78 RAB9A (0.47) MAPK1SMN1; SMN2DRD2DRD3L3MBTL1
SCHEMBL8303345 0.76 CYP2D6 (0.43) USP2ALDH1A1CYP3A4SMN1; SMN2TSHR
SCHEMBL6999554 0.73 HRH2 (0.48) HRH2HRH1HRH3TRPV4PAX8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665228-B1 Pharmaceutical compositions containing 3-phenylsulfonyl-3,7-diazabicyclo 3,3,1 nonanes SOLVAY PHARM GMBH (DE) 1999-07-14 EP disclosed
US-5635511-A ACID ADDITION SALT DERIVATIVES; ANTIARRHYTHMIA AGENTS; ACTIVE SUPPRESSION OF EXTRASYSTOLES, VENTRICULAR FLUTTERS AND FIBRILLATIONS KALI-CHEMIE PHARMA GMBH (DE) 1997-06-03 US disclosed
US-5576327-A Treatment of heart rhythym disorders by administration of 3-phenylsulfonyl-3, 7-diazabicyclo[3.3.1]nonane compounds KALI-CHEMIE PHARMA GMBH (DE) 1996-11-19 US disclosed
EP-0665228-A1 Pharmaceutical compositions containing 3-phenylsulfonyl-3,7-diazabicyclo 3,3,1 nonanes Kali-Chemie Pharma GmbH (DE) 1995-08-02 EP disclosed