SCHEMBL8163789

SCHEMBL8163789

C=C(c1ccc(/C=C/c2ccccc2)cc1)N1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 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
SCHEMBL4220849 0.82 GRM5 (0.65) GRM5L3MBTL1SMN1; SMN2HPGDNAMPT
SCHEMBL3638834 0.82 GRM5 (0.65) GRM5L3MBTL1SMN1; SMN2HPGDNAMPT
SCHEMBL8163323 0.79 GRM5 (0.69) GRM5MAPTLMNAGAAL3MBTL1
SCHEMBL8160767 0.69 GRM5 (0.52) GRM5
SCHEMBL8159268 0.69 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL13931022 0.69 ACHE (0.74) GRM5LMNAGAANPC1RAB9A
SCHEMBL1934947 0.67 HPGD (0.55) GAANPC1HPGDHTTMEN1
SCHEMBL24722046 0.67 L3MBTL3 (0.67) L3MBTL1
SCHEMBL26606126 0.67 ACHE (0.42) MAPTLMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL21976176 0.67 CA12 (0.49) NPC1RAB9ASMN1; SMN2

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
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