SCHEMBL8575669

SCHEMBL8575669

COC(=O)CCCC1CN(c2ccc(C#N)cc2)C(=O)N1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.39
CMA1 P23946 3/20 0.39
GRM2 Q14416 1/20 0.39
ELANE P08246 2/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
CHRM4 P08173 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NR3C2 P08235 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CHRM2 P08172 1/20 0.35
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8573438 0.94 CTSG (0.40) CTSGCMA1GRM2ELANEGAA
Hydrochloric Acid SCHEMBL8571485 0.93 CTSG (0.39) CTSGCMA1GRM2ELANEGAA
SCHEMBL8573886 0.84 HDAC1 (0.40) CTSGCMA1CHRM4CYP11B1CYP11B2
SCHEMBL8570127 0.82 HTT (0.40) CTSGCMA1ELANENR3C2PPARG
SCHEMBL8575660 0.81 GRM5 (0.43) CHRM4CHRM2
SCHEMBL8571333 0.81 PKM (0.38) GRM2ALDH1A1LMNACYP11B1CYP11B2
SCHEMBL8571508 0.81 HTR7 (0.37) CTSGCMA1GRM2ELANETSHR
SCHEMBL8572736 0.80 OPRM1 (0.43) ELANEALDH1A1MAPT
SCHEMBL8417227 0.80 CTSG (0.42) CTSGCMA1GRM2GAAL3MBTL1
SCHEMBL8571584 0.79 CTSG (0.39) 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