SCHEMBL8577383

SCHEMBL8577383

COC(=O)CCC1CN(c2ccc3c(c2)CCC3=NO)C(=O)N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.33
CTSG P08311 2/20 0.33
CMA1 P23946 2/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK14 Q16539 2/20 0.32
BRAF P15056 4/20 0.31
TSHR P16473 1/20 0.31
P2RX3 P56373 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1G O43497 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
SCHEMBL8520116 0.95 L3MBTL1 (0.33) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8575396 0.85 CTSG (0.36) CTSGCMA1GAAALDH1A1L3MBTL1
SCHEMBL8417042 0.79 CTSG (0.35) CTSGCMA1CACNA1G
Hydrochloric Acid SCHEMBL8571507 0.78 CTSG (0.34) CTSGCMA1CACNA1G
Hydrochloric Acid SCHEMBL8573565 0.78 CTSG (0.39) CTSGCMA1GAAALDH1A1L3MBTL1
SCHEMBL8415372 0.78 OPRD1 (0.39) CTSGCMA1
SCHEMBL8559521 0.77 TMEM97 (0.39) CTSGCMA1
Hydrochloric Acid SCHEMBL8576436 0.77 OPRD1 (0.39) CTSGCMA1
SCHEMBL8563033 0.77 HTR6 (0.45) CTSGCMA1GAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8563489 0.77 TMEM97 (0.38) CTSGCMA1

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