SCHEMBL4958844

SCHEMBL4958844

NC(c1c[c]ccc1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.36
AKT2 P31751 1/20 0.33
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4960709 0.96 IDO1 (0.40) IDO1AKT2GAAL3MBTL1
SCHEMBL6637764 0.95 IDO1 (0.42) IDO1AKT2GAAL3MBTL1
SCHEMBL6635629 0.92 IDO1 (0.37) IDO1AKT2
SCHEMBL11885874 0.78 IDO1 (0.50) IDO1AKT2GAAL3MBTL1
SCHEMBL872220 0.78 IDO1 (0.50) IDO1AKT2GAAL3MBTL1
SCHEMBL2677106 0.78 IDO1 (0.50) IDO1AKT2GAAL3MBTL1
Hydrochloric Acid SCHEMBL15921932 0.76 IDO1 (0.52) IDO1AKT2GAAL3MBTL1
Hydrochloric Acid SCHEMBL20721271 0.76 IDO1 (0.52) IDO1AKT2GAAL3MBTL1
Hydrochloric Acid SCHEMBL16321038 0.76 IDO1 (0.52) IDO1AKT2GAAL3MBTL1
SCHEMBL28247288 0.75 IDO1 (0.41) IDO1AKT2GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP claimed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US claimed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
CN-1849121-A Piperazine derivatives as bradyknin antagonist AMGEN INC (US) 2006-10-18 CN disclosed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP disclosed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US disclosed