SCHEMBL4591832

SCHEMBL4591832

CCOC(=O)C(C)COc1cc(OC)cc(C(=O)N(Cc2cc(OCC)c(F)c(OCC)c2)C2CCNCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.40
TACR1 P25103 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34

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 0.89 TACR1 (0.36) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591095 0.85 TACR1 (0.37) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591464 0.84 REN (0.38) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591939 0.84 SLC6A4 (0.38) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591515 0.84 REN (0.39) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591455 0.83 TACR1 (0.37) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591603 0.82 MEN1 (0.53) TACR1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4591887 0.80 TACR1 (0.45) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4591469 0.79 HTR2A (0.43) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL4592438 0.79 POLB (0.43) HTR2ATACR1SMN1; SMN2SLC6A2SLC6A4

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