SCHEMBL27790076

SCHEMBL27790076

CC(C)(C)C(=O)OC(C)(C)c1ccccc1C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 6/20 0.42
HTR1A P08908 5/20 0.42
HTR6 P50406 5/20 0.39

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
SCHEMBL27677864 0.78 HTR2C (0.59) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL745921 0.76 HTR2C (0.65) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL30075655 0.76 HTR2C (0.69) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL15935172 0.76 HTR2C (0.69) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27821350 0.76 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27840659 0.75 SLC6A2 (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27811328 0.74 HTR6 (0.38) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1789472 0.74 PTGDR2 (0.44) HTR2CSLC6A2SLC6A4HTR1A
SCHEMBL1789474 0.73 PTGDR2 (0.47) HTR2CSLC6A2SLC6A4HTR1A
Tert-Butyl Formate SCHEMBL27794226 0.73 HTR2C (0.52) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102439008-B 1,2, 4-triazolo [4,3-a ] pyridine derivatives and their use for the treatment or prevention of neurological and psychiatric disorders ORTHO MCNEIL JANSSEN PHARM 2015-04-29 CN disclosed
CN-103342695-B 1',3'-disubstituted-4-pheny-3,4,5,6-tetrahydro-2H,1'H-[1,4']bipyridinyl-2'-ones ORTHO MCNEIL JANSSEN PHARM 2015-04-22 CN disclosed
CN-101801951-B 1 ', 3 ' -disubstituted-4-phenyl-3, 4,5, 6-tetrahydro-2H, 1 ' H- [1,4 ' ] bipyridinyl-2 ' -ones ORTHO MCNEIL JANSSEN PHARM 2013-11-13 CN disclosed
CN-103342695-A 1',3'-disubstituted-4-pheny-3,4,5,6-tetrahydro-2H,1'H-[1,4']bipyridinyl-2'-ones ORTHO MCNEIL JANSSEN PHARM 2013-10-09 CN disclosed
CN-101861316-B Imidazo [1,2-a ] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors ORTHO MCNEIL JANSSEN PHARM 2013-08-21 CN disclosed
CN-102439008-A 1,2, 3-triazolo [4,3-a ] pyridine derivatives and their use for the treatment or prevention of neurological and psychiatric disorders ORTHO MCNEIL JANSSEN PHARM 2012-05-02 CN disclosed
CN-101861316-A Imidazo [1,2-a ] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors ORTHO MCNEIL JANSSEN PHARM 2010-10-13 CN disclosed
CN-101801951-A 1 ', 3 ' -disubstituted-4-phenyl-3, 4,5, 6-tetrahydro-2H, 1 ' H- [1,4 ' ] bipyridinyl-2 ' -ones ORTHO MCNEIL JANSSEN PHARM 2010-08-11 CN disclosed