SCHEMBL8167234

SCHEMBL8167234

C=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.53
ACHE P22303 1/20 0.46
L3MBTL3 Q96JM7 7/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
USP5 P45974 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL8160754 0.88 L3MBTL3 (0.49) GRM5L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL8154357 0.88 L3MBTL3 (0.52) GRM5L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL8162119 0.87 GRM5 (0.68) GRM5L3MBTL1ACACBKDM4EALDH1A1
SCHEMBL3638327 0.85 GRM5 (0.76) GRM5L3MBTL3L3MBTL1KDM4ETDP1
SCHEMBL8167410 0.82 KDM4E (0.43) GRM5L3MBTL3L3MBTL1KDM4ETDP1
SCHEMBL8163323 0.80 GRM5 (0.69) GRM5L3MBTL1KDM4E
SCHEMBL8161856 0.76 GRM5 (0.50) GRM5
SCHEMBL24722046 0.75 L3MBTL3 (0.67) L3MBTL3L3MBTL1TDP1MBTD1TP53BP1
SCHEMBL8154259 0.75 GRM3 (0.52) GRM5ALDH1A1
SCHEMBL8154173 0.74 GRM5 (0.48) GRM5KDM4E

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