SCHEMBL3245085

SCHEMBL3245085

O=S(=O)(O)CCCN1CCc2cc(Cl)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.51
HTR7 P34969 6/20 0.51
DRD3 P35462 6/20 0.51
HTR1A P08908 5/20 0.51
HRH1 P35367 5/20 0.51
HTR2B P41595 5/20 0.51
ACACB O00763 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 4/20 0.43
HTR2C P28335 3/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43

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
SCHEMBL5534030 0.84 HTR7 (0.43) DRD2HTR7DRD3HTR1AHRH1
SCHEMBL5535345 0.84 CARM1 (0.48) DRD2HTR7DRD3ACACBPRMT5
SCHEMBL10231923 0.83 HTR7 (0.42) DRD2HTR7DRD3HTR1AHRH1
SCHEMBL3245091 0.82 SLC6A4 (0.52) DRD2HTR7DRD3HTR1AHRH1
SCHEMBL652976 0.82 HTR7 (0.60) DRD2HTR7DRD3HTR1AHRH1
SCHEMBL3245036 0.81 DRD2 (0.44) DRD2HTR7DRD3
SCHEMBL13678422 0.81 TMEM97 (0.49) DRD2HTR7DRD3MEN1KMT2A
SCHEMBL10231918 0.80 ABCB1 (0.45)
SCHEMBL5023878 0.79 CARM1 (0.48) DRD2HTR7DRD3PRMT5WDR77
SCHEMBL5541021 0.79 HTR7 (0.43) DRD2HTR7DRD3HTR1AHRH1

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
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed