SCHEMBL13627329

SCHEMBL13627329

Cc1cc(-c2ccc(Cl)cc2Cl)cc2c1NC[C@H]1CNC[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
AHR P35869 1/20 0.37
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HSD11B1 P28845 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4469750 1.00 HTR2C (0.42) HTR2CAHRMAPTHPGDCHRNB2
SCHEMBL13627311 0.85 HTR2C (0.40) HTR2CAHR
SCHEMBL4250880 0.85 HTR2C (0.40) HTR2CAHR
SCHEMBL4480129 0.78 HTR2C (0.33) HTR2CCHRNB2CHRNA4
SCHEMBL4476756 0.78 HTR2C (0.33) HTR2CCHRNB2CHRNA4
SCHEMBL13627328 0.78 HTR2C (0.33) HTR2CCHRNB2CHRNA4
SCHEMBL4483043 0.77 HTR2C (0.33) HTR2CMAPTCHRNA4
SCHEMBL13627326 0.77 HTR2C (0.33) HTR2CMAPTCHRNA4
SCHEMBL6216628 0.77 MAPK1 (0.36) HTR2CAHR
SCHEMBL4482328 0.74 TRPA1 (0.42) 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