SCHEMBL1245088

SCHEMBL1245088

Cn1cnc(CO[C]=O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
MTOR P42345 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ACACB O00763 1/20 0.34
HPGDS O60760 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 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
SCHEMBL14351424 0.80 CYP2C9 (0.37) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL8738612 0.76
SCHEMBL2439432 0.75
SCHEMBL1245091 0.74 CYP2C9 (0.47) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL17014704 0.72 CYP2C9 (0.48) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL29391472 0.71 CYP2C9 (0.44) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL5956451 0.71
SCHEMBL7283194 0.71 GPR119 (0.33)
SCHEMBL14351443 0.70 CYP2C9 (0.43) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL25475209 0.69 TSHR (0.42) CYP2C9CYP2C19TSHRMTORHRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO claimed
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO disclosed