SCHEMBL4053802

SCHEMBL4053802

CC(C)(C)C#CC1=CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2892482 0.82 GRM5 (0.43) GRM5KCNH2HRH3MEN1KMT2A
SCHEMBL2290995 0.79 GRM5 (0.44) GRM5KCNH2HRH3MEN1KMT2A
SCHEMBL8675743 0.75 GRM5 (0.49) GRM5MEN1KMT2A
SCHEMBL14812990 0.75 GRM5 (0.36) GRM5KCNH2HRH3MEN1KMT2A
SCHEMBL4538188 0.75 GRM5 (0.36) GRM5KCNH2HRH3MEN1KMT2A
SCHEMBL28811006 0.73 GRM5 (0.47) GRM5ALDH1A1SMN1; SMN2
SCHEMBL2285672 0.73 GRM5 (0.42) GRM5ALDH1A1SMN1; SMN2
SCHEMBL25310964 0.70 GRM5 (0.49) GRM5
SCHEMBL5796435 0.70 GRM5 (0.57) GRM5
SCHEMBL4536276 0.70 GRM5 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732903-B1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2009-02-18 EP disclosed