SCHEMBL5741102

SCHEMBL5741102

OCC(c1nnn(-c2cccc(Cl)c2)n1)c1nnc(-c2ccncc2)n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
TACR1 P25103 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM5 P41594 3/20 0.37
FLT3 P36888 2/20 0.36
GSK3B P49841 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 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
SCHEMBL2891125 0.82 MAPK1 (0.37) PKMTACR1MAPK1GRM5FLT3
SCHEMBL2897646 0.82 TACR1 (0.37) PKMTACR1MAPK1GRM5FLT3
SCHEMBL2897581 0.79 MAPK1 (0.40) TACR1MAPK1GRM5FLT3GSK3B
SCHEMBL2893681 0.79 GRM5 (0.56) PKMMAPK1GRM5FLT3GSK3B
SCHEMBL2897403 0.75 GRM5 (0.38) TACR1MAPK1GRM5FLT3GSK3B
SCHEMBL2895705 0.75 CYP3A4 (0.52) TACR1MAPK1FLT3GSK3BALPL
SCHEMBL5757429 0.71 MAPK1 (0.33) MAPK1GRM5ALPLALPI
SCHEMBL5757422 0.71 MAPK1 (0.33) MAPK1GRM5ALPLALPI
SCHEMBL5754386 0.71 MAPK1 (0.41) TACR1MAPK1GRM5ALPLALPI
SCHEMBL2893692 0.69 ALPL (0.41) GRM5ALPLALPIGAATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP claimed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO claimed