SCHEMBL6208345

SCHEMBL6208345

CCOC(=O)Oc1c(C)nc(C#Cc2ccc(-c3ccccc3)cc2)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
ACACB O00763 1/20 0.37
TARBP2 Q15633 1/20 0.37
GRM5 P41594 3/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 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 0.93 ADORA3 (0.42) ADORA3ALOX5KDM4ERAB9ANPC1
SCHEMBL6208278 0.86 LMNA (0.37) ADORA3KDM4ERAB9ANPC1ALDH1A1
SCHEMBL6209784 0.86 GABRA2 (0.37) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL6208213 0.86 GRM5 (0.43) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL6207660 0.82 GRM5 (0.43) RAB9ANPC1MAPTSMN1; SMN2GRM5
SCHEMBL6201462 0.82 ADORA3 (0.47) ADORA3KDM4ERAB9ANPC1ALDH1A1
SCHEMBL6208296 0.80 GRM5 (0.45) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL6209016 0.80 GRM5 (0.43) GRM5
SCHEMBL6207945 0.79 TDP1 (0.34) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6212636 0.78 GRM5 (0.47) KDM4ERAB9ANPC1ALDH1A1MAPT

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