SCHEMBL3472224

SCHEMBL3472224

Cc1cc(Br)ccc1CCCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
PYCR1 P32322 1/20 0.40
MPO P05164 2/20 0.39
SLC6A4 P31645 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TLR8 Q9NR97 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DGAT1 O75907 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM5A P29375 1/20 0.36

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
SCHEMBL3858358 0.86 NPSR1 (0.52) PYCR1NPSR1MEN1KMT2AMAPT
SCHEMBL3474780 0.82 SIRT1 (0.42) PYCR1NPSR1MEN1KMT2AMAPT
SCHEMBL23189091 0.82 NPY1R (0.41) MTNR1APYCR1SLC6A4NPSR1NPY1R
SCHEMBL7911472 0.82 F13A1 (0.53) NPSR1MAPTFFAR1
SCHEMBL4817531 0.81 NPSR1 (0.63) NPSR1MEN1KMT2AMAPTFFAR1
SCHEMBL20378745 0.80 PYCR1 (0.42) PYCR1SLC6A4NPSR1MEN1KMT2A
SCHEMBL29086718 0.79 LMNA (0.38) PYCR1NPSR1MEN1KMT2AMAPT
SCHEMBL1680569 0.78 TYR (0.44) PYCR1NPSR1NPY1RNPY2RMEN1
SCHEMBL10204025 0.78 SETDB1 (0.43) PYCR1MEN1KMT2AMAPTCYP1A2
SCHEMBL9955740 0.78 DGAT1 (0.46) MTNR1AMPOSLC6A4TLR8DGAT1

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
WO-2010149360-A1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLES LONZA LTD (CH) 2010-12-29 WO disclosed