SCHEMBL6920784

SCHEMBL6920784

O=c1c2ccc(C#Cc3cccc(F)c3)cc2nc2n1CCNC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6922172 0.91 L3MBTL1 (0.42) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL9995144 0.85 GRM5 (0.41) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL12059799 0.84 BCL2A1 (0.39) TDP1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL6921520 0.84 L3MBTL1 (0.54) TDP1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20755644 0.83 ALDH1A1 (0.36) TDP1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL6921662 0.83 MEN1 (0.54) TDP1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL6922869 0.82 GRM5 (0.44) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL2053268 0.82 L3MBTL1 (0.41) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL2053312 0.81 L3MBTL1 (0.35) TDP1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL9994522 0.81 GRM5 (0.40) GRM5TDP1L3MBTL1RAB9ANPC1

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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed