SCHEMBL13329044

SCHEMBL13329044

CCOc1cccc(OC2CN(c3c4c(nc5ccnn35)CNCC4)C2)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.73
HTR2B P41595 17/20 0.73
HTR2A P28223 16/20 0.73
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL10218929 0.95 HTR2C (0.82) HTR2CHTR2BHTR2APDE3BPDE3A
SCHEMBL10219027 0.85 HTR2C (0.80) HTR2CHTR2BHTR2AMAPKAPK2
SCHEMBL10219005 0.84 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL13329434 0.83 HTR2C (0.68) HTR2CHTR2BHTR2A
SCHEMBL14700098 0.83 HTR2C (0.64) HTR2CHTR2BHTR2AMAPKAPK2
SCHEMBL10219020 0.83 HTR2C (0.83) HTR2CHTR2BHTR2A
SCHEMBL10218965 0.81 HTR2C (0.81) HTR2CHTR2BHTR2A
SCHEMBL10218884 0.81 HTR2C (0.80) HTR2CHTR2BHTR2A
SCHEMBL10219017 0.81 HTR2C (0.80) HTR2CHTR2BHTR2A
SCHEMBL10216814 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A

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-2010060952-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-03 WO disclosed