SCHEMBL4608169

SCHEMBL4608169

NCCc1ccc(-c2ccc(C3CCCC3N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.43
KDM1A O60341 4/20 0.40
TAAR1 Q96RJ0 7/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR3A P46098 1/20 0.36
BACE1 P56817 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL4608402 0.78 ALDH1A1 (0.38) MAOBKDM1AALDH1A1BACE1L3MBTL1
SCHEMBL4608166 0.78 SLC6A2 (0.42) MAOBTAAR1CYP1A2KDM4EALDH1A1
SCHEMBL4606554 0.78 KDM1A (0.66) MAOBKDM1ATAAR1CYP1A2CYP2A6
SCHEMBL4607809 0.77 GRIA4 (0.44) MAOBKDM1AALDH1A1
SCHEMBL4608247 0.75 KDM1A (0.39) MAOBKDM1ATAAR1CYP1A2CYP2A6
SCHEMBL3948975 0.73 BACE1 (0.49) TAAR1CYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL4607109 0.72 KDM1A (0.43) MAOBKDM1A
SCHEMBL4604973 0.72 KDM1A (0.61) MAOBKDM1A
SCHEMBL4607730 0.72 KDM1A (0.49) MAOBKDM1A
SCHEMBL6532602 0.72 MAOB (0.73) MAOBTAAR1CYP1A2CYP2A6KDM4E

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 6 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
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US 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