SCHEMBL4325937

SCHEMBL4325937

O=C(O)c1cccc(C#Cc2ccccn2)c1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
FFAR1 O14842 1/20 0.38
HAO1 Q9UJM8 2/20 0.38
SYK P43405 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
GRM5 P41594 5/20 0.37
GRM4 Q14833 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TEAD4 Q15561 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
DHODH Q02127 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
SCHEMBL4066718 0.80 PTGDR2 (0.48) PTGDR2FFAR1HAO1GRM5MEN1
SCHEMBL3723974 0.77 PTGDR2 (0.49) PTGDR2FFAR1HAO1GRM5MEN1
SCHEMBL31475510 0.77 GRM5 (0.40) PTGDR2SYKTAS2R14GRM5MEN1
SCHEMBL3411039 0.75 PTGDR2 (0.51) PTGDR2FFAR1HAO1SYKGRM5
SCHEMBL31475533 0.73 TAS2R14 (0.36) PTGDR2HAO1SYKTAS2R14GRM5
SCHEMBL31475549 0.72 HAO1 (0.42) HAO1
SCHEMBL3641138 0.70 NPC1 (0.58) PTGDR2FFAR1GRM5ALDH1A1MAPT
SCHEMBL16004606 0.68 GRM5 (0.57) GRM5
SCHEMBL30526535 0.68 GRM5 (0.57) GRM5
SCHEMBL12492897 0.68 ALB (0.52) SYKTAS2R14MEN1ALDH1A1MAPT

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
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO disclosed