SCHEMBL13763003

SCHEMBL13763003

CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CN(Cl)C[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.65
HTR2B P41595 20/20 0.65
HTR2A P28223 16/20 0.65

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
SCHEMBL13763002 1.00 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL13763161 1.00 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL13763099 0.84 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL13763163 0.82 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL13763031 0.82 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL13763100 0.82 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL4465118 0.82 HTR2C (0.61) HTR2CHTR2BHTR2A
SCHEMBL13763029 0.80 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL13763054 0.80 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL13763056 0.80 HTR2C (0.45) 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
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed