SCHEMBL9633719

SCHEMBL9633719

N#CC1(Cl)CC1(Cl)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PRCP P42785 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL9633419 0.73 OPRM1 (0.40) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL4441268 0.71 SLC6A2 (0.43) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL24525794 0.69 SLC6A3 (0.37) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL29101215 0.69 SLC6A3 (0.34) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL8112308 0.68 SLC6A2 (0.44) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL2987797 0.68 SLC6A2 (0.37) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3518650 0.67 SLC6A2 (0.51) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL9632050 0.66
SCHEMBL9632957 0.66 SLC6A3 (0.34) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL24525763 0.66 MEN1 (0.42) SLC6A2MEN1KMT2APRCPSIGMAR1

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
US-5120861-A DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS SHELL RESEARCH LIMITED (GB) 1992-06-09 US disclosed
EP-0432817-A1 Diazirine derivatives of aromatic heterocyclic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-06-19 EP disclosed