SCHEMBL3249580

SCHEMBL3249580

CS(=O)(=O)Nc1ccc2c(c1)CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.62
HTR6 P50406 2/20 0.58
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
DRD3 P35462 1/20 0.58
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
MELK Q14680 1/20 0.50

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
SCHEMBL8115507 0.94 HTR6 (0.55) PNMTHTR6DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL4789165 0.92 HTR6 (0.54) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL10360424 0.90 HTR6 (0.66) PNMTHTR6DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7014506 0.89 HTR6 (0.64) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL14067448 0.86 HTR6 (0.55) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL6925873 0.86 PNMT (0.56) PNMTHTR6DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL28416949 0.85 HTR6 (0.53) PNMTHTR6DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL31084057 0.85 HTR6 (0.53) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL13757776 0.81 PNMT (0.76) PNMTHTR6DRD2HTR2AHTR2C
SCHEMBL7452220 0.81 HTR6 (0.84) PNMTHTR6DRD2HTR2AHTR2C

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 5 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
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP disclosed
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed