SCHEMBL4592438

SCHEMBL4592438

CCOC(=O)C(C)COc1cccc(C(=O)N(Cc2cc(OCC)c(-n3cccc3)c(OCC)c2)C2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 3/20 0.38
HTT P42858 1/20 0.38
SLC6A4 P31645 6/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 5/20 0.38
KCNH2 Q12809 3/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 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
SCHEMBL4590911 0.90 TACR1 (0.36) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591603 0.88 MEN1 (0.53) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4590615 0.85 POLB (0.41) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591405 0.84 POLB (0.43) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591677 0.83 POLB (0.42) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4592111 0.81 MBTPS1 (0.39) SLC6A4SLC6A2SLC6A3KCNH2THRB
SCHEMBL4591832 0.79 HTR2A (0.40) POLBSMN1; SMN2TACR1SLC6A4SLC6A2
SCHEMBL4611157 0.79 TACR1 (0.38) MEN1KMT2ATACR1SLC6A4SLC6A2
SCHEMBL4591434 0.77 TACR1 (0.35) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591595 0.76 HDAC3 (0.39) TACR1SLC6A4SLC6A2SLC6A3KCNH2

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