SCHEMBL6208296

SCHEMBL6208296

CCOC(=O)Oc1c(C)nc(C#Cc2ccccc2F)n1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.45
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6208783 0.84 ADORA3 (0.42) GRM5LMNAALDH1A1KDM4ENPC1
SCHEMBL6208213 0.82 GRM5 (0.43) GRM5KMT2ALMNAALDH1A1KDM4E
SCHEMBL6199507 0.82 GRM5 (0.53) GRM5KMT2APOLBLMNAPKM
SCHEMBL6208345 0.80 ADORA3 (0.41) GRM5LMNAALDH1A1KDM4ENPC1
SCHEMBL6207945 0.79 TDP1 (0.34) KMT2APOLBLMNAALDH1A1KDM4E
SCHEMBL6207660 0.78 GRM5 (0.43) GRM5KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6209784 0.77 GABRA2 (0.37) GRM5KMT2APOLBLMNAALDH1A1
SCHEMBL6209016 0.75 GRM5 (0.43) GRM5
SCHEMBL4083809 0.74 CACNA1F (0.42) KMT2APOLBLMNAALDH1A1KDM4E
SCHEMBL6212636 0.74 GRM5 (0.47) GRM5KMT2APOLBALDH1A1KDM4E

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-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP claimed