SCHEMBL6207660

SCHEMBL6207660

CCOC(=O)Oc1c(C)nc(C#Cc2cccc(C)c2)n1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6208783 0.89 ADORA3 (0.42) GRM5CYP3A4FFAR1NPC1MAPT
SCHEMBL6209016 0.88 GRM5 (0.43) GRM5FFAR1EGLN1
SCHEMBL6212636 0.86 GRM5 (0.47) GRM5KMT2ANPC1MAPTRAB9A
SCHEMBL6208345 0.82 ADORA3 (0.41) GRM5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6200156 0.82 GRM5 (0.43) GRM5CYP1A2CYP3A4FFAR1KMT2A
SCHEMBL6208213 0.82 GRM5 (0.43) GRM5FFAR1KMT2ANPC1RAB9A
SCHEMBL6209784 0.82 GABRA2 (0.37) GRM5KMT2ANPC1MAPTRAB9A
SCHEMBL6207945 0.81 TDP1 (0.34) CYP1A2CYP3A4KMT2AMAPTSMN1; SMN2
SCHEMBL6208296 0.78 GRM5 (0.45) GRM5KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6502589 0.74 FFAR1 (0.41) GRM5FFAR1

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