SCHEMBL10488554

SCHEMBL10488554

CCC(C)CNc1n[nH]c(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PDE4D Q08499 1/20 0.37
HCAR3 P49019 2/20 0.35
UTS2R Q9UKP6 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HCAR2 Q8TDS4 5/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MDM2 Q00987 1/20 0.32
MAPT P10636 3/20 0.31
CYP2C19 P33261 1/20 0.31
AURKA O14965 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.31
DAO P14920 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL10488456 0.81 SMN1; SMN2 (0.50) SMN1; SMN2PDE4DHCAR2LMNAL3MBTL1
SCHEMBL10488584 0.80 HCAR3 (0.48) SMN1; SMN2PDE4DHCAR3LRRK2HCAR2
SCHEMBL10488470 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PDE4DHCAR3HCAR2LMNA
SCHEMBL10488646 0.76 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DHCAR3HCAR2LMNA
SCHEMBL10488490 0.75 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DHCAR3HCAR2LMNA
SCHEMBL10488484 0.74 LRRK2 (0.41) SMN1; SMN2PDE4DHCAR3LRRK2HCAR2
SCHEMBL10488819 0.73 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DHCAR3HCAR2LMNA
SCHEMBL10488515 0.72 HCAR2 (0.41) SMN1; SMN2PDE4DHCAR2LMNAL3MBTL1
SCHEMBL10488645 0.72 SMN1; SMN2 (0.73) SMN1; SMN2HCAR2LMNAAURKAMAPK1
SCHEMBL11084510 0.72 SMN1; SMN2 (0.48) SMN1; SMN2PDE4DLMNAMAPTAURKA

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
US-4871737-A 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-03 US disclosed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP disclosed
US-4826866-A 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-05-02 US disclosed