SCHEMBL877208

SCHEMBL877208

OCc1ccc(-c2ccc(Cl)cn2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.47
CYP2C9 P11712 1/20 0.47
KMO O15229 2/20 0.40
CYP11B1 P15538 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
RECQL P46063 1/20 0.38
CYP11B2 P19099 1/20 0.36
MME P08473 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL12987491 0.80 KDM1A (0.46) GRM2CYP2C9KMOCYP11B1
SCHEMBL12970151 0.74 KDM1A (0.53) GRM2
SCHEMBL12987241 0.73 AMY1A (0.50) GRM2CYP2C9CYP11B1CYP11B2
SCHEMBL875492 0.72 GRM4 (0.45) PTGDR2CYP4F2CYP4A11
SCHEMBL8613864 0.72 MEN1 (0.46) GRM2CYP2C9ALOX5APFEN1
SCHEMBL16675768 0.72 FYN (0.55) CYP2C9
SCHEMBL15115340 0.72 RECQL (0.37) PTGDR2RECQLCYP4F2CYP4A11
SCHEMBL9327112 0.71 CYP11B1 (0.46) GRM2CYP2C9CYP11B1CYP11B2ALOX5AP
SCHEMBL31152600 0.71 KDM1A (0.48) CYP11B1CYP11B2ALOX5APFEN1
SCHEMBL875959 0.71 CYP4F2 (0.46) PTGDR2RECQLS1PR3CYP4F2CYP4A11

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
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed