SCHEMBL6209784

SCHEMBL6209784

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACACB O00763 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 3/20 0.35
TSHR P16473 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL6208213 0.88 GRM5 (0.43) GABRA2GABRB2KMT2AOPRM1LMNA
SCHEMBL6208783 0.88 ADORA3 (0.42) GABRA2GABRB2HPGDSMN1; SMN2NPSR1
SCHEMBL6208345 0.86 ADORA3 (0.41) GABRA2GABRB2HPGDSMN1; SMN2ACACB
SCHEMBL6207945 0.83 TDP1 (0.34) KMT2AMEN1SMN1; SMN2NPSR1LMNA
SCHEMBL6207660 0.82 GRM5 (0.43) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6202119 0.81 GABRA2 (0.44) GABRA2GABRB2KMT2AMEN1HTT
SCHEMBL6209016 0.79 GRM5 (0.43) L3MBTL1GRM5
SCHEMBL6212636 0.78 GRM5 (0.47) KMT2AMEN1SMN1; SMN2ACACBPOLB
SCHEMBL6207861 0.78 ALDH1A1 (0.35) KMT2AMEN1HTTHPGDSMN1; SMN2
SCHEMBL6208296 0.77 GRM5 (0.45) KMT2AMEN1SMN1; SMN2LMNAPOLB

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