SCHEMBL13329439

SCHEMBL13329439

COc1ccccc1OC1CN(c2c3c(nc4ccnn24)CNCC3)C1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.89
HTR2B P41595 17/20 0.89
HTR2A P28223 16/20 0.89
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL10219037 0.94 HTR2C (1.00) HTR2CHTR2BHTR2ATNKSTNKS2
SCHEMBL10218947 0.85 HTR2C (0.82) HTR2CHTR2BHTR2ATNKSTNKS2
SCHEMBL10218849 0.84 HTR2C (0.82) HTR2CHTR2BHTR2ATNKSTNKS2
SCHEMBL10218965 0.83 HTR2C (0.81) HTR2CHTR2BHTR2A
SCHEMBL10218861 0.83 HTR2C (0.80) HTR2CHTR2BHTR2A
SCHEMBL10219015 0.83 HTR2C (0.81) HTR2CHTR2BHTR2A
SCHEMBL13329063 0.82 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL13329434 0.82 HTR2C (0.68) HTR2CHTR2BHTR2A
SCHEMBL10216810 0.82 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL10218843 0.82 HTR2C (0.79) 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