SCHEMBL4960709

SCHEMBL4960709

NC(c1c[c]ccc1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.40
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT2 P31751 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTR1E P28566 1/20 0.32
S1PR3 Q99500 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL6637764 0.98 IDO1 (0.42) IDO1GAAL3MBTL1AKT2MEN1
SCHEMBL4958844 0.96 IDO1 (0.36) IDO1GAAL3MBTL1AKT2
SCHEMBL6635629 0.92 IDO1 (0.37) IDO1AKT2DPP4
SCHEMBL28247288 0.79 IDO1 (0.41) IDO1GAAL3MBTL1AKT2MEN1
SCHEMBL28750188 0.79 IDO1 (0.35) IDO1AKT2DPP4DPP8DPP9
SCHEMBL295253 0.78 IDO1 (0.55) IDO1GAAL3MBTL1AKT2MEN1
SCHEMBL2677194 0.78 IDO1 (0.55) IDO1GAAL3MBTL1AKT2MEN1
SCHEMBL20721292 0.78 IDO1 (0.55) IDO1GAAL3MBTL1AKT2MEN1
SCHEMBL24742273 0.76 IDO1 (0.58) IDO1GAAL3MBTL1AKT2MEN1
SCHEMBL20721161 0.76 IDO1 (0.58) IDO1GAAL3MBTL1AKT2MEN1

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