SCHEMBL27716655

SCHEMBL27716655

CC(C)(C)C(=O)OC1(C)C(=O)N(Cc2cccc(F)c2)c2cccc(N3CCNCC3)c21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
NPY2R P49146 1/20 0.40
HTR1A P08908 4/20 0.39
DRD2 P14416 3/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
TP53 P04637 2/20 0.37
EGFR P00533 2/20 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
SCHEMBL3854529 0.82 HTR6 (0.48) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3853341 0.82 HTR6 (0.50) HTR6HTR1ADRD2HTR2AHTR7
Tert-Butyl Formate SCHEMBL27716656 0.80 HTR6 (0.43) HTR6NPY2RHTR1ADRD2HTR2A
Tert-Butyl Formate SCHEMBL27716668 0.79 HTR6 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL27716667 0.78 NPY2R (0.42) HTR6NPY2RHTR1ADRD2HTR7
SCHEMBL1136500 0.74 HTR6 (0.50) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3853259 0.73 GPR119 (0.47) NPY2RDRD2KMT2AMEN1TP53
SCHEMBL3852196 0.73 GPR119 (0.47) NPY2RKMT2AMEN1TP53
SCHEMBL1136462 0.72 HTR6 (0.47) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1136498 0.70 HTR6 (0.45) HTR6HTR1ADRD2HTR2AHTR7

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
CN-101263136-A Benzimidazole derivatives as 5-HT6, 5-HT24 HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed