SCHEMBL4590591

SCHEMBL4590591

CCOc1cc(CN(C(=O)c2cccc(OS(C)(=O)=O)c2)C2CCNCC2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.45
POLB P06746 1/20 0.42
F10 P00742 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 1/20 0.40
SSTR5 P35346 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.37
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL4592091 0.92 POLB (0.43) TACR1POLBF10MEN1HPGD
SCHEMBL4591320 0.91 POLB (0.43) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4592477 0.87 POLB (0.46) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4591330 0.87 POLB (0.42) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4591623 0.86 POLB (0.47) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4591876 0.85 POLB (0.46) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4591599 0.85 POLB (0.42) TACR1POLBF10MEN1HPGD
SCHEMBL4591930 0.84 POLB (0.42) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4590969 0.83 POLB (0.45) TACR1POLBMEN1HPGDKMT2A
SCHEMBL4591405 0.81 POLB (0.43) TACR1POLBMEN1HPGDKMT2A

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-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed