SCHEMBL8160754

SCHEMBL8160754

C=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(N2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 17/20 0.49
L3MBTL1 Q9Y468 14/20 0.49
GRM5 P41594 2/20 0.49
MBTD1 Q05BQ5 5/20 0.46
TP53BP1 Q12888 2/20 0.46
L3MBTL4 Q8NA19 1/20 0.46

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
SCHEMBL8154357 0.97 L3MBTL3 (0.52) L3MBTL3L3MBTL1GRM5MBTD1TP53BP1
SCHEMBL8167234 0.88 GRM5 (0.53) L3MBTL3L3MBTL1GRM5MBTD1TP53BP1
SCHEMBL24722046 0.84 L3MBTL3 (0.67) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3639179 0.84 L3MBTL3 (0.73) L3MBTL3L3MBTL1GRM5MBTD1TP53BP1
SCHEMBL8163323 0.83 GRM5 (0.69) L3MBTL1GRM5
SCHEMBL8167410 0.82 KDM4E (0.43) L3MBTL3L3MBTL1GRM5MBTD1TP53BP1
SCHEMBL3637708 0.81 L3MBTL3 (0.76) L3MBTL3L3MBTL1GRM5MBTD1TP53BP1
SCHEMBL8154173 0.80 GRM5 (0.48) GRM5
SCHEMBL8161856 0.80 GRM5 (0.50) GRM5
SCHEMBL8161960 0.79 GRM5 (0.47) GRM5

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-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed