SCHEMBL7989746

SCHEMBL7989746

CCOC(=O)Cn1ncc2c1CC1CCC2N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PREP P48147 3/20 0.35
HSD11B1 P28845 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ELANE P08246 1/20 0.33
MAPK1 P28482 1/20 0.33
SPR P35270 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL7986449 0.92 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL7989148 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL22749851 0.79 PREP (0.36) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL7989492 0.77 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL7993429 0.77 CHRM2 (0.36) SMN1; SMN2CHRM2CHRM1CHRM3PREP
SCHEMBL28044502 0.76 PIK3CD (0.39) SMN1; SMN2GPR119MEN1KMT2ALMNA
SCHEMBL7989581 0.72 L3MBTL1 (0.36) SMN1; SMN2CHRM2CHRM1CHRM3PREP
SCHEMBL30405603 0.71 CHRM1 (0.51) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL7975140 0.70 ESR2 (0.44) SMN1; SMN2GPR119MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7989639 0.70 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed