SCHEMBL103738

SCHEMBL103738

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.43
GRM4 Q14833 1/20 0.38
PPIA P62937 1/20 0.37
FFAR1 O14842 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
P2RY1 P47900 1/20 0.35
MAOB P27338 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
SCHEMBL103391 0.85 GRM5 (0.39) GRM5GRM4P2RY1
SCHEMBL103419 0.80 ALDH1A1 (0.44) GRM5HDAC3HDAC1POLBRAB9A
SCHEMBL102005 0.79 POLB (0.53) GRM5PPIAHDAC3HDAC1POLB
SCHEMBL102665 0.77 GRM5 (0.36) GRM5FFAR1
SCHEMBL101180 0.74 GRM5 (0.53) GRM5HDAC3HDAC1POLBRAB9A
SCHEMBL103258 0.73 KMT2A (0.51) GRM5POLBRAB9A
SCHEMBL103836 0.72 FFAR1 (0.58) GRM5FFAR1PTGDR2
SCHEMBL102995 0.71 TSHR (0.52) POLBRAB9A
SCHEMBL5261892 0.70 HDAC4 (0.53) FFAR1HDAC3HDAC1RAB9A
SCHEMBL105893 0.70 GRM5 (0.39) GRM5PPIAFFAR1PTGDR2POLB

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