SCHEMBL13763036

SCHEMBL13763036

Cc1cc(Cl)c2c(c1)[C@H]1CN(Cl)C[C@@H]1NC2=O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.64
HTR2C P28335 19/20 0.64
HTR2B P41595 19/20 0.64
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL13763053 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BPBRM1
SCHEMBL13763172 0.88 HTR2A (0.60) HTR2AHTR2CHTR2BPBRM1
SCHEMBL13763142 0.88 HTR2A (0.60) HTR2AHTR2CHTR2BPBRM1
SCHEMBL13763165 0.83 HTR2A (0.66) HTR2AHTR2CHTR2B
SCHEMBL13763164 0.83 HTR2A (0.66) HTR2AHTR2CHTR2B
SCHEMBL4465996 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BPBRM1
SCHEMBL13763004 0.81 HTR2A (0.67) HTR2AHTR2CHTR2B
SCHEMBL13763102 0.81 HTR2A (0.67) HTR2AHTR2CHTR2B
SCHEMBL13756880 0.78 HTR2A (1.00) HTR2AHTR2CHTR2B
SCHEMBL13756879 0.78 HTR2A (1.00) HTR2AHTR2CHTR2B

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