SCHEMBL2188871

SCHEMBL2188871

CC1(C)OB(c2ccc3c(ccn3C3CCCCC3O)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.33
LIPG Q9Y5X9 10/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HIF1A Q16665 1/20 0.33
ROCK1 Q13464 1/20 0.32
F11 P03951 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL31500593 0.82 LPL (0.38) LPLLIPGIRAK4ROCK1
SCHEMBL565431 0.82 GRM2 (0.39) LPLLIPGIRAK4ROCK1
SCHEMBL565363 0.82 GRM2 (0.39) LPLLIPGIRAK4ROCK1
SCHEMBL565362 0.82 GRM2 (0.39) LPLLIPGIRAK4ROCK1
SCHEMBL565945 0.79 LPL (0.33) LPLLIPGIRAK4ROCK1
SCHEMBL565944 0.79 LPL (0.33) LPLLIPGIRAK4ROCK1
SCHEMBL566038 0.79 LPL (0.33) LPLLIPGIRAK4ROCK1
SCHEMBL7861274 0.78 DGAT1 (0.38) LPLLIPGIRAK4
SCHEMBL17136711 0.74 HTR6 (0.36) LPLLIPGIRAK4HIF1A
SCHEMBL484221 0.72 PRKCI (0.46) LPLLIPGIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346505-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-07-27 EP disclosed
WO-2010043396-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed