SCHEMBL14735706

SCHEMBL14735706

C(#Cc1ccccn1)CCc1cn2ccccc2n1.Cc1cccn2cc(CCC#Cc3ccccn3)nc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.60
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
PDE10A Q9Y233 4/20 0.41
METTL3 Q86U44 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL100452 0.94 GRM5 (0.57) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL102127 0.89 GRM5 (0.72) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30485551 0.89 GRM5 (0.72) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL104046 0.81 GRM5 (0.57) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30795180 0.81 GRM5 (0.57) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL104166 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL104353 0.75 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2KDM4E
Dipraglurant SCHEMBL30079764 0.75 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
Dipraglurant SCHEMBL103033 0.75 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL102385 0.74 GRM5 (0.47) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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-1765795-B1 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2013-03-06 EP claimed