SCHEMBL4820654

SCHEMBL4820654

CCCCCC1C(=O)[N]Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.40
HRH1 P35367 4/20 0.40
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RET P07949 1/20 0.37
PRKCD Q05655 1/20 0.36

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
SCHEMBL820716 0.76 HTR2A (0.50) HTR2AHRH1DRD2RET
SCHEMBL5548408 0.74 CNR2 (0.38)
SCHEMBL1574700 0.73 PRKCD (0.41) HTR2AHRH1PRKCD
SCHEMBL27296044 0.71 HTR2A (0.47) HTR2AHRH1HTR2CDRD2RET
SCHEMBL6305591 0.70 CES2 (0.40) HTR2A
SCHEMBL877438 0.68 HTR2A (0.56) HTR2A
SCHEMBL5508649 0.68 HTR2A (0.43) HTR2AHRH1HTR2CDRD2SLC6A2
SCHEMBL1325541 0.67 RAB9A (0.44)
SCHEMBL6061696 0.67 HTR2A (0.54) HTR2A
SCHEMBL6060938 0.67 HTR2A (0.54) HTR2A

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
EP-1931636-A1 ISOQUINOLINES AS IGF-1R INHIBITORS Analytecon S.A. (CH) 2008-06-18 EP disclosed
WO-2007029106-A1 ISOQUINOLINES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2007-03-15 WO disclosed