SCHEMBL1907982

SCHEMBL1907982

[O]c1ccc(C#Cc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.52
FFAR1 O14842 2/20 0.51
APP P05067 1/20 0.50
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL4319348 0.75 CYP1A2 (0.55) GRM5FFAR1APPMAPT
SCHEMBL30772300 0.75 CYP1A2 (0.55) GRM5FFAR1APPMAPT
SCHEMBL16466525 0.75 GRM5 (0.52) GRM5FFAR1APPMAPT
SCHEMBL2520705 0.75 GRM5 (0.52) GRM5FFAR1APPMAPT
SCHEMBL1644125 0.75 GRM5 (0.57) GRM5FFAR1APPMAPT
SCHEMBL1642511 0.75 PIK3CA (0.56) GRM5FFAR1APPMAPT
SCHEMBL10847901 0.75 FFAR1 (0.57) GRM5FFAR1APPMAPT
SCHEMBL28536669 0.75 FFAR1 (0.47) GRM5FFAR1APPMAPT
SCHEMBL2114741 0.74 APP (0.92) GRM5FFAR1APPMAPTCA12
SCHEMBL1230922 0.72 APP (0.67) GRM5FFAR1APPMAPTCA12

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