SCHEMBL374018

SCHEMBL374018

CCOC(=O)Oc1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.65
DRD2 P14416 13/20 0.65
HTR2A P28223 3/20 0.65
HTT P42858 1/20 0.60
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL373816 0.89 HTR1A (0.67) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL974322 0.86 HTR1A (0.62) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL11786344 0.84 HTR1A (0.85) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL373815 0.80 HTR1A (0.71) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL373380 0.77 HTR6 (0.54) DRD2KDM4EALOX15
SCHEMBL4194997 0.77 HTR1A (1.00) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL7543848 0.76 HTR1A (1.00) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL28743323 0.75 HTR1A (0.55) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL3243578 0.74 HTR1A (0.58) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL7649906 0.74 HTR1A (0.83) HTR1ADRD2HTR2AHTTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed