SCHEMBL4007754

SCHEMBL4007754

C1CCC(CSCN2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.52
ADRA2C P18825 1/20 0.52
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
CYP1A2 P05177 1/20 0.34
EPHX1 P07099 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL7440315 0.75 EPHX1 (0.39) CHRM5ADRA2CACHECYP1A2EPHX1
SCHEMBL6656386 0.75 MEN1 (0.52) CHRM5ADRA2CMEN1KMT2ASMN1; SMN2
SCHEMBL27475440 0.75 EPHX1 (0.39) CHRM5ADRA2CACHECYP1A2EPHX1
SCHEMBL8976389 0.72 EPHX1 (0.35) CHRM5ADRA2CCYP1A2EPHX1SIGMAR1
SCHEMBL9802627 0.72 EPHX1 (0.38) CHRM5ADRA2CKMT2ASMN1; SMN2CYP1A2
SCHEMBL18739531 0.72 CHRM5 (0.42) CHRM5ADRA2CACHEEPHX1CHRM2
Ammonia Solution, Strong SCHEMBL28811026 0.70 EPHX1 (0.34) CHRM5ADRA2CCYP1A2EPHX1CHRM2
SCHEMBL8023973 0.69
SCHEMBL1515104 0.69 CHRM5 (1.00) CHRM5ADRA2CSMN1; SMN2ACHEHRH3
SCHEMBL20643257 0.69 CHRM5 (1.00) CHRM5ADRA2CSMN1; SMN2ACHEHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009082247-A1 PROCESS FOR PREPARING IMMUCILLINS HAVING A METHYLENE LINK INDUSTRIAL RESEARCH LIMITED (NZ) 2009-07-02 WO claimed
EP-1991231-A1 METHODS OF TREATING DISEASES USING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-11-19 EP claimed
EP-1991230-A1 METHODS OF TREATING CANCER ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-11-19 EP claimed
EP-1881984-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, a division of YESHIVA UNIVERSITY (US) 2008-01-30 EP claimed
WO-2007097648-A1 METHODS OF TREATING DISEASES USING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2007-08-30 WO claimed
WO-2007097647-A1 METHODS OF TREATING CANCER ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-08-30 WO claimed
WO-2006123953-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-11-23 WO claimed
WO-2017062421-A1 USE OF MTAP INHIBITORS FOR THE TREATMENT OF LUNG DISEASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-04-13 WO disclosed
WO-2009082247-A1 PROCESS FOR PREPARING IMMUCILLINS HAVING A METHYLENE LINK INDUSTRIAL RESEARCH LIMITED (NZ) 2009-07-02 WO disclosed
EP-1991231-A1 METHODS OF TREATING DISEASES USING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-11-19 EP disclosed
EP-1991230-A1 METHODS OF TREATING CANCER ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-11-19 EP disclosed
EP-1881984-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, a division of YESHIVA UNIVERSITY (US) 2008-01-30 EP disclosed
WO-2007097648-A1 METHODS OF TREATING DISEASES USING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2007-08-30 WO disclosed
WO-2007097647-A1 METHODS OF TREATING CANCER ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-08-30 WO disclosed
WO-2006123953-A1 INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-11-23 WO disclosed