SCHEMBL15664200

SCHEMBL15664200

Cc1ccc(Nc2cccnc2C)c(OC(=O)Nc2ccc(F)c(C)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.34
GRM5 P41594 4/20 0.34
MAPT P10636 2/20 0.33
NTRK1 P04629 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGFBR1 P36897 1/20 0.33
KMT2A Q03164 1/20 0.32
P2RY1 P47900 5/20 0.32
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL15663526 0.87 GRM5 (0.40) GRM5
SCHEMBL15663761 0.84 GRM5 (0.52) GRM5KMT2AHTT
SCHEMBL15663889 0.83 GRM5 (0.35) LPAR1GRM5MAPTTGFBR1KMT2A
SCHEMBL15664001 0.81 PDE4B (0.40) LPAR1GRM5MAPTKMT2AHTT
SCHEMBL15663531 0.80 PDE10A (0.40) GRM5
SCHEMBL15663466 0.79 SMARCA2 (0.42) LPAR1GRM5KMT2ANPC1RAB9A
SCHEMBL15664381 0.78 NPC1 (0.42) GRM5MAPTL3MBTL1HTTNPC1
SCHEMBL15663677 0.72 GRM5 (0.54) GRM5
SCHEMBL2827599 0.71 GRM5 (0.46) GRM5NTRK1KMT2ANPC1RAB9A
SCHEMBL15663522 0.71 GRM5 (0.40) GRM5

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
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP claimed