SCHEMBL7989148

SCHEMBL7989148

CC(C)(C)OC(=O)N1C2CCC1c1cnn(CC(=O)O)c1C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PREP P48147 4/20 0.38
ELANE P08246 1/20 0.38
HSD11B1 P28845 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
SPR P35270 3/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC1 Q13547 1/20 0.32
ABCB1 P08183 1/20 0.32
FAAH O00519 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
ROCK2 O75116 1/20 0.31
STS P08842 1/20 0.31

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
SCHEMBL7989746 0.87 SMN1; SMN2 (0.39) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL22749851 0.82 PREP (0.36) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL7986449 0.78 SMN1; SMN2 (0.40)
SCHEMBL7985658 0.75 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL24616534 0.72 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL30000644 0.72 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL521781 0.72 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL24616413 0.72 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL521435 0.72 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPELANE
SCHEMBL1445058 0.72 CHRM2 (0.54) CHRM2CHRM1CHRM3PREPELANE

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