SCHEMBL6208213

SCHEMBL6208213

CCOC(=O)Oc1c(C)nc(C#Cc2ccc(F)cc2)n1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.43
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
OPRM1 P35372 1/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6209784 0.88 GABRA2 (0.37) GRM5GABRA2GABRB2OPRM1TSHR
SCHEMBL6208278 0.88 LMNA (0.37) GRM5GABRA2GABRB2KDM4ELMNA
SCHEMBL6208783 0.88 ADORA3 (0.42) GRM5GABRA2GABRB2KDM4ELMNA
SCHEMBL6208345 0.86 ADORA3 (0.41) GRM5GABRA2GABRB2TSHRKDM4E
SCHEMBL6207660 0.82 GRM5 (0.43) GRM5KMT2AFFAR1NPC1RAB9A
SCHEMBL6208296 0.82 GRM5 (0.45) GRM5KDM4ELMNAALDH1A1KMT2A
SCHEMBL6199786 0.81 GRM5 (0.52) GRM5GABRA2GABRB2TSHRKDM4E
SCHEMBL6209016 0.79 GRM5 (0.43) GRM5FFAR1
SCHEMBL6207945 0.78 TDP1 (0.34) TSHRKDM4ELMNAALDH1A1KMT2A
SCHEMBL6212636 0.78 GRM5 (0.47) GRM5TSHRKDM4EALDH1A1KMT2A

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