SCHEMBL8081529

SCHEMBL8081529

CC1CNc2cc(C3CC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.35
HTR2C P28335 6/20 0.35
AR P10275 1/20 0.35
QDPR P09417 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
EPHX2 P34913 1/20 0.31
MAT2A P31153 1/20 0.31
POLB P06746 1/20 0.31
PDE4A P27815 2/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 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
SCHEMBL12413 0.76 CA1 (0.45) HTR2CARHTR2AHTR2B
SCHEMBL31158608 0.74 HTR2C (0.49) HTR2CARHTR2AHTR2B
SCHEMBL13894872 0.74 HTR2C (0.51) HTR2CARHTR2AHTR2B
SCHEMBL7036293 0.74 CHRNB2 (0.42) HTR2CARHTR2AHTR2B
SCHEMBL21241465 0.72 EPHX2 (0.39) ESR2HTR2CQDPREPHX2PDE4A
SCHEMBL12649161 0.71 HTR2C (0.54) HTR2CHTR2AHTR2BPOLB
SCHEMBL12983195 0.71 PARP1 (0.37) HTR2CARHTR2AHTR2B
SCHEMBL18883053 0.69 HTR2C (0.46) HTR2CARHTR2AHTR2B
SCHEMBL13372443 0.69 HTR2C (0.46) HTR2CARHTR2AHTR2B
SCHEMBL548964 0.69 HTR2C (0.46) HTR2CARHTR2AHTR2B

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-2009053440-A1 INDOLINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed