SCHEMBL2227073

SCHEMBL2227073

O=C(C1CCc2ccccc2N1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.52
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MTNR1A P48039 4/20 0.44
HTR1A P08908 4/20 0.41
HTR2A P28223 4/20 0.41
DRD3 P35462 4/20 0.41
F2 P00734 2/20 0.39
MASP2 O00187 1/20 0.39
MTNR1B P49286 1/20 0.38
HTR2C P28335 2/20 0.37
DRD2 P14416 1/20 0.37
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTK2B Q14289 1/20 0.35
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34

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
SCHEMBL4019694 0.82 SMYD3 (0.58) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL29754050 0.81 CA9 (0.42) SMYD3MAPTGAAMTNR1AMTNR1B
SCHEMBL29831598 0.80 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL1150614 0.80 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL444953 0.80 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL1531662 0.80 GAA (0.69) SMYD3MAPTGAAMTNR1AHTR1A
Hydrochloric Acid SCHEMBL11050093 0.79 GAA (0.67) SMYD3MAPTGAAMTNR1AHTR1A
Hydrochloric Acid SCHEMBL11047643 0.79 GAA (0.67) SMYD3MAPTGAAMTNR1AHTR1A
SCHEMBL6206546 0.79 SMYD3 (0.56) SMYD3MAPTGAAMTNR1AHTR1A
Hydrochloric Acid SCHEMBL3157936 0.79 GAA (0.67) SMYD3MAPTGAAMTNR1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
EP-2184990-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
WO-2010021797-A1 CONDENSED HETEROCYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-25 WO disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
WO-2010008832-A1 PYRROLO-PYRIDINE-3-YL-PIPERAZINE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 WO disclosed
WO-2010002802-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO disclosed
EP-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 WO disclosed