SCHEMBL3254053

SCHEMBL3254053

COc1cccc2c1C(CCCS(=O)(=O)O)NCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
HTR2C P28335 2/20 0.40
DYRK1A Q13627 1/20 0.37
BCHE P06276 1/20 0.37
HTR1A P08908 2/20 0.36
OPRK1 P41145 1/20 0.36
DRD1 P21728 1/20 0.35
PTPRCAP Q14761 1/20 0.35

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
SCHEMBL2795781 0.80 HTR1A (0.50) OPRM1HTR2CHTR1A
SCHEMBL3246830 0.79 BCHE (0.54) BCHE
SCHEMBL3245093 0.78 CA1 (0.49) OPRM1HTR2CBCHEOPRK1
SCHEMBL917364 0.76 ALDH1A1 (0.52) OPRM1OPRK1
SCHEMBL3253489 0.75 BCHE (0.53) BCHE
SCHEMBL3243959 0.74 CA1 (0.48) OPRM1HTR2CBCHEOPRK1
SCHEMBL918901 0.73 ALDH1A1 (0.51) OPRM1OPRK1
SCHEMBL23959518 0.72 HTR2C (0.45) OPRM1HTR2CDYRK1ADRD1PTPRCAP
SCHEMBL30422600 0.72 HTR2C (0.45) OPRM1HTR2CDYRK1ADRD1PTPRCAP
SCHEMBL24174623 0.72 HTR2C (0.45) OPRM1HTR2CDYRK1ADRD1PTPRCAP

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