SCHEMBL5263397

SCHEMBL5263397

CC(C)N(C(=O)OCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
PTGES O14684 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MAOB P27338 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL30013373 0.82 HCAR2 (0.48) GLAHCAR2CHRM2CHRM1CHRM3
SCHEMBL23601799 0.82 HCAR2 (0.48) GLAHCAR2CHRM2CHRM1CHRM3
SCHEMBL5262282 0.78 MTNR1A (0.44) PTGESALDH1A1MTNR1AMTNR1BSLC6A2
SCHEMBL7783953 0.77 ALDH1A1 (0.42) PTGESALDH1A1MTNR1AMTNR1BSLC6A2
SCHEMBL10515353 0.76 ALDH1A1 (0.49) CHRM2CHRM1CHRM3ALDH1A1SLC6A2
SCHEMBL5229233 0.76 ALDH1A1 (0.49) CHRM2CHRM1CHRM3ALDH1A1SLC6A2
SCHEMBL1812242 0.76 ALDH1A1 (0.49) CHRM2CHRM1CHRM3ALDH1A1SLC6A2
SCHEMBL31279443 0.76 RIPK1 (0.54) GLAHCAR2PTGESCHRM2CHRM1
SCHEMBL38656959 0.74 HCAR2 (0.41) GLAHCAR2PTGESALDH1A1AAK1
SCHEMBL3051941 0.74 ALDH1A1 (0.46) HCAR2CHRM2CHRM1CHRM3ALDH1A1

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-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed