SCHEMBL4310550

SCHEMBL4310550

COC1[C]=CCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 5/20 0.31
GID4 Q8IVV7 1/20 0.31
IDO1 P14902 2/20 0.31
PDPK1 O15530 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
HRH1 P35367 2/20 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
SCHEMBL9199555 1.00 MAPT (0.32) MAPTMEN1KMT2AHTR2AGID4
SCHEMBL4310302 0.82 HTR2A (0.33) MAPTMEN1KMT2AHTR2AHRH1
SCHEMBL8492145 0.81 PDPK1 (0.32) MAPTPDPK1
SCHEMBL1009380 0.76 HTR2A (0.38) HTR2AIDO1HRH1
SCHEMBL9198328 0.76 CTSL (0.40) HTR2AIDO1PDPK1
SCHEMBL8890669 0.76 CHRNB2 (0.33) HTR2APDPK1
SCHEMBL4290508 0.75 HTR2A (0.35) MAPTHTR2APDPK1HRH1
SCHEMBL458495 0.75 HTR2A (0.35) MAPTHTR2APDPK1HRH1
SCHEMBL6521360 0.75 HTR2A (0.35) MAPTHTR2APDPK1HRH1
SCHEMBL7469960 0.73 HTR2A (0.33) HTR2AGID4IDO1PDPK1HRH1

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
EP-3134413-A1 SUBSTITUTED [1,2,4]TRIAZOLO [1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2017-03-01 EP claimed
WO-2015164508-A1 SUBSTITUTED [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2015-10-29 WO claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP disclosed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO disclosed
EP-0005652-A2 Electrophoretic migration imaging process and dispersion EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-11-28 EP disclosed