SCHEMBL8575396

SCHEMBL8575396

COC(=O)CCC1CN(c2ccccc2)C(=O)N1c1ccc2c(c1)CCC2=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.36
CMA1 P23946 2/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MAPK14 Q16539 2/20 0.33
TSHR P16473 2/20 0.33
GRM5 P41594 1/20 0.33
CACNA1G O43497 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8577383 0.85 MAPT (0.36) CTSGCMA1GAAALDH1A1L3MBTL1
SCHEMBL8559521 0.84 TMEM97 (0.39) CTSGCMA1
Hydrochloric Acid SCHEMBL8563489 0.83 TMEM97 (0.38) CTSGCMA1
SCHEMBL8563033 0.83 HTR6 (0.45) CTSGCMA1GAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8559384 0.83 HTR6 (0.44) CTSGCMA1GAAALDH1A1L3MBTL1
SCHEMBL8563454 0.82 HTR6 (0.41) CTSGCMA1TSHR
SCHEMBL8520116 0.82 L3MBTL1 (0.33) CTSGCMA1GAAALDH1A1L3MBTL1
Acetic Acid SCHEMBL8562511 0.81 HTR6 (0.40) CTSGCMA1
SCHEMBL8571584 0.79 CTSG (0.39) CTSGCMA1GAAALDH1A1L3MBTL1
SCHEMBL8575092 0.79 CTSG (0.43) CTSGCMA1GAAALDH1A1L3MBTL1

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed