SCHEMBL13627312

SCHEMBL13627312

COc1cc(-c2ccccc2)cc2c1NC[C@H]1CNC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38

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
SCHEMBL4250357 1.00 HTR2C (0.38) HTR2C
SCHEMBL13627326 0.83 HTR2C (0.33) HTR2C
SCHEMBL4483043 0.83 HTR2C (0.33) HTR2C
SCHEMBL4477342 0.82 TRPA1 (0.36) HTR2C
SCHEMBL4472523 0.82 TRPA1 (0.36) HTR2C
SCHEMBL13627313 0.82 TRPA1 (0.36) HTR2C
SCHEMBL13627311 0.79 HTR2C (0.40) HTR2C
SCHEMBL4250880 0.79 HTR2C (0.40) HTR2C
SCHEMBL4479389 0.79 CYP1A1 (0.35) HTR2C
SCHEMBL13627320 0.79 CYP1A1 (0.35) HTR2C

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-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed