SCHEMBL11210893

SCHEMBL11210893

CON(C)C(=O)N(CCCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
ALOX5 P09917 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9799301 0.91 PTGIR (0.51) SIGMAR1TSHR
SCHEMBL11212858 0.90 FDPS (0.46) ALDH1A1
SCHEMBL9799418 0.87 TAAR1 (0.46) AOC3SIGMAR1ALDH1A1TSHR
SCHEMBL9799416 0.85 CDK8 (0.43) SIGMAR1ALDH1A1TSHRCHRM2HTR1A
SCHEMBL9799179 0.84 TACR1 (0.46) SIGMAR1ALOX5ALDH1A1TSHR
SCHEMBL6466553 0.84 AOC3 (0.47) AOC3SIGMAR1ALOX5CHRM2HTR1A
SCHEMBL6468346 0.78 CCR6 (0.45) AOC3SIGMAR1ALOX5ALDH1A1
SCHEMBL7047948 0.77 L3MBTL1 (0.43) AOC3SIGMAR1ALOX5
SCHEMBL829335 0.75 ALOX5 (0.61) ALOX5ALDH1A1ADRA1ASLC6A3
SCHEMBL4456605 0.75 SMN1; SMN2 (0.52) ALOX5ALDH1A1CHRM2HTR1AADRA2A

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
EP-0040859-B1 N'-PHENYL-N-METHYLUREA DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 EP disclosed
EP-0040859-A1 N'-phenyl-N-methylurea derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed