SCHEMBL102665

SCHEMBL102665

CC(C)(C)N(C(=O)O)c1ccc(F)cc1C(=O)CCC#Cc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.36
POLQ O75417 1/20 0.35
FFAR1 O14842 1/20 0.34
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL102666 0.77 POLQ (0.39) GRM5POLQFFAR1
SCHEMBL103738 0.77 GRM5 (0.43) GRM5FFAR1
SCHEMBL103391 0.76 GRM5 (0.39) GRM5
SCHEMBL105893 0.75 GRM5 (0.39) GRM5POLQFFAR1ALDH1A1
SCHEMBL103849 0.72 GRM5 (0.36) GRM5POLQFFAR1
SCHEMBL102032 0.71 GRM5 (0.35) GRM5POLQFFAR1ALDH1A1
SCHEMBL103737 0.70 GRM5 (0.42) GRM5POLQFFAR1ALDH1A1
SCHEMBL104380 0.69 GRM5 (0.42) GRM5POLQFFAR1ALDH1A1
SCHEMBL103836 0.68 FFAR1 (0.58) GRM5POLQFFAR1ALDH1A1
SCHEMBL103419 0.68 ALDH1A1 (0.44) GRM5ALDH1A1

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
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed