SCHEMBL4608166

SCHEMBL4608166

NCCc1ccc(-c2ccc(C3CCCC3C(N)=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 1/20 0.42
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
MAOB P27338 6/20 0.38
BACE1 P56817 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3A P46098 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
FFAR1 O14842 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4608400 0.81 SLC6A2 (0.40) SLC6A2SLC6A4BACE1ALDH1A1SIRT2
SCHEMBL4606553 0.81 SLC6A2 (0.61) SLC6A2SLC6A4MAOBFFAR1
SCHEMBL4607805 0.80 GRIA4 (0.41) SLC6A2SLC6A4ALDH1A1
SCHEMBL4608244 0.79 SIRT2 (0.40) SLC6A2SLC6A4SIRT2SIRT1
SCHEMBL4608169 0.78 MAOB (0.43) SLC6A2MAOBBACE1TAAR1KDM4E
SCHEMBL4607106 0.76 SLC6A4 (0.43) SLC6A2SLC6A4SIRT2SIRT1
SCHEMBL4604971 0.76 SLC6A2 (0.52) SLC6A2SLC6A4MAOB
SCHEMBL4607726 0.76 HRH3 (0.46) SLC6A2SLC6A4MAOB
SCHEMBL4608380 0.74 SIRT2 (0.52) SIRT2SIRT1KMT2A
SCHEMBL4606990 0.74 ALDH1A1 (0.49) SLC6A2SLC6A4ALDH1A1CYP2C19SIRT2

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-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO disclosed