SCHEMBL103391

SCHEMBL103391

CC(C)(C)OC(=O)Nc1ccc(F)cc1C(=O)CCC#Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.39
KCNQ4 P56696 3/20 0.38
KCNQ5 Q9NR82 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP17A1 P05093 1/20 0.35
METAP1 P53582 1/20 0.35
P2RY1 P47900 1/20 0.35
GRM4 Q14833 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL103419 0.74 ALDH1A1 (0.44) GRM5
SCHEMBL102005 0.74 POLB (0.53) GRM5P2RY1
SCHEMBL103849 0.72 GRM5 (0.36) GRM5P2RY1GRM4
SCHEMBL102032 0.72 GRM5 (0.35) GRM5GRM4
SCHEMBL103390 0.71 GRM5 (0.38) GRM5
SCHEMBL104049 0.71 POLQ (0.39) GRM5
SCHEMBL5868752 0.70 GRM5 (0.45) GRM5RXFP1
SCHEMBL31246191 0.70 KCNK2 (0.49) KCNQ4KCNQ5RXFP1CYP17A1
SCHEMBL101180 0.69 GRM5 (0.53) GRM5
SCHEMBL103258 0.69 KMT2A (0.51) GRM5

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 3 patents. 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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed