SCHEMBL4763249

SCHEMBL4763249

CCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1nc(C)nc2c1CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR7 P34969 2/20 0.31
HTR6 P50406 2/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL6492870 0.92 CRHR1 (0.34) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4804115 0.88 CRHR1 (0.41) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4763245 0.86 CRHR1 (0.46) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4767150 0.86 CRHR1 (0.43) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4762385 0.83 CRHR1 (0.43) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4763067 0.81 CRHR1 (0.43) CRHR1GABRA2GABRB2DRD2HTR2A
SCHEMBL4762104 0.81 CRHR1 (0.43) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL13986668 0.81 CRHR1 (0.42) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL4763468 0.77 CRHR1 (0.45) CRHR1
SCHEMBL4767336 0.76 CRHR1 (0.42) CRHR1GABRA2GABRB2DRD2HTR2A

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
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed