SCHEMBL5613083

SCHEMBL5613083

CC1CCNCc2nc(O)ccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.33
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL5613205 0.78 DRD2 (0.43) DRD2DRD1HTR2AHTR2CHTR2B
SCHEMBL2079607 0.74 HTR2C (0.46) HTR2AHTR2CHTR2B
SCHEMBL5613174 0.74 HCRTR1 (0.32) DRD2DRD1
SCHEMBL5604265 0.68 HTR2C (0.31) HTR2AHTR2CHTR2B
SCHEMBL5612831 0.68 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL21041640 0.67 HTR2C (0.45) HTR2C
SCHEMBL5612854 0.66 HTR2C (0.38) HTR2AHTR2CHTR2B
SCHEMBL5593821 0.66 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL22355459 0.65 NTRK1 (0.35)
SCHEMBL22355454 0.65 NTRK1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007140213-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 WO claimed