SCHEMBL3433946

SCHEMBL3433946

O=C(O)C1NCCC1c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BLM P54132 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
ARG1 P05089 3/20 0.32
ARG2 P78540 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6236810 0.87 AOC3 (0.32) SLC1A2KDM4EMEN1KMT2AEPHX2
SCHEMBL1994249 0.74 KDM4E (0.42) SLC1A2KDM4EMEN1KMT2AKDM4C
SCHEMBL30609822 0.72 KDM4E (0.64) SLC1A2KDM4EMEN1KMT2ABLM
SCHEMBL2035758 0.72 KDM4E (0.45) KDM4EMEN1KMT2AKDM4CEPHX2
SCHEMBL6619561 0.70 SLC1A2 (0.40) SLC1A2KDM4EMEN1KMT2ABLM
SCHEMBL6210180 0.70 KDM1A (0.43) SLC1A2MEN1KMT2ABLMARG1
SCHEMBL7526618 0.70 GPR88 (0.32) KDM4EKDM4C
SCHEMBL2035875 0.69 KDM4E (0.40) KDM4EMEN1KMT2AKDM4CEPHX2
SCHEMBL2586566 0.68 KDM4C (0.43) KDM4EMEN1KMT2AKDM4CEPHX2
SCHEMBL2586558 0.68 KDM4C (0.43) KDM4EMEN1KMT2AKDM4CEPHX2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812431-A1 4-(PYRAZINE-2-YL)-PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2007-08-01 EP claimed
WO-2006045615-A1 4- (PYRAZINE-2-YL) -PYRROLIDINE-2-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF AS HEPATITIS C VIRUS INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-04 WO claimed
EP-1554274-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2005-07-20 EP claimed
EP-1440070-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP claimed
WO-2004037818-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2004-05-06 WO claimed
WO-2003037894-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 WO claimed
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 EP disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 WO disclosed
EP-1554274-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
EP-1440070-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
WO-2004037818-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2003037894-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 WO disclosed