SCHEMBL1901918

SCHEMBL1901918

OCCc1ccc(C#Cc2ccccc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.69
GRM5 P41594 3/20 0.44
ACACB O00763 1/20 0.44
APP P05067 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1643058 0.86 FFAR1 (0.64) FFAR1GRM5ACACBAPPFFAR4
SCHEMBL19116244 0.79 FFAR1 (0.59) FFAR1GRM5ACACBAPPMAPT
SCHEMBL30998264 0.78 FFAR1 (0.44) FFAR1ACACB
SCHEMBL30998248 0.77 FFAR1 (0.41) FFAR1ACACBEGLN1
SCHEMBL8569361 0.77 FFAR1 (0.41) FFAR1ACACB
SCHEMBL6041956 0.73 NPC1 (0.47) FFAR1
SCHEMBL1644125 0.72 GRM5 (0.57) FFAR1GRM5APPEGLN1MAPT
SCHEMBL10848914 0.70 FFAR1 (0.50) FFAR1GRM5ACACBEGLN1
SCHEMBL14840557 0.69 FFAR1 (0.56) FFAR1GRM5EGLN1PLAUPLAT
SCHEMBL1663193 0.69 GRM5 (0.45) FFAR1GRM5APPFFAR4EGLN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed