SCHEMBL8227100

SCHEMBL8227100

CCCN(c1nnc(-c2cncnc2)n1C)C(C)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.44
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL4089560 0.77 GRM5 (0.41) GRM5ALDH1A1MAPK1KCNH2NPC1
SCHEMBL2917638 0.71 GRM5 (0.68) GRM5ALDH1A1MAPK1KCNH2NPC1
SCHEMBL4097309 0.68 GRM5 (0.64) GRM5ALDH1A1KCNH2NPC1RAB9A
SCHEMBL4323911 0.68 GRM5 (0.70) GRM5ALDH1A1MAPK1KCNH2NPC1
SCHEMBL5054869 0.68 GRM5 (0.70) GRM5ALDH1A1MAPK1KCNH2NPC1
SCHEMBL8226908 0.68 GRM5 (0.47) GRM5ALDH1A1MAPK1KCNH2NPC1
SCHEMBL1544945 0.67 KCNH2 (0.45) GRM5ALDH1A1MAPK1KCNH2MEN1
SCHEMBL4105476 0.67 GRM5 (0.40) GRM5ALDH1A1MAPK1KCNH2KMT2A
Azd2066 SCHEMBL4331565 0.66 GRM5 (0.72) GRM5ALDH1A1MAPK1KCNH2MEN1
Azd2066 SCHEMBL1848325 0.66 GRM5 (0.72) GRM5ALDH1A1MAPK1KCNH2MEN1

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
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO disclosed