SCHEMBL4591280

SCHEMBL4591280

COC(=O)CCCOc1cc(OC)cc(C(=O)N(Cc2cc(OC(C)C)cc(OC(C)C)c2)C2CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
HTR2A P28223 2/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MBTPS1 Q14703 2/20 0.38
REN P00797 5/20 0.38
KCNH2 Q12809 1/20 0.38
TACR1 P25103 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TP53 P04637 1/20 0.36
F2 P00734 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
SCHEMBL4591868 0.92 CNR1 (0.41) CNR1CNR2MAPTTHRBHTR2A
SCHEMBL4591515 0.84 REN (0.39) CNR1CNR2MAPTHTR2AREN
SCHEMBL4591464 0.76 REN (0.38) CNR1CNR2HTR2AMBTPS1REN
SCHEMBL4591104 0.73 MBTPS1 (0.47) MAPTTHRBHTR2ASLC6A9SLC6A5
SCHEMBL2960509 0.72 MEN1 (0.55) CNR1CNR2
SCHEMBL2962718 0.71 MCHR1 (0.59) CNR1CNR2
SCHEMBL4591832 0.71 HTR2A (0.40) MAPTTHRBHTR2AKCNH2TACR1
SCHEMBL4777439 0.71 SLC6A4 (0.50) MBTPS1RENKCNH2SLC6A2SLC6A4
SCHEMBL4591887 0.70 TACR1 (0.45) MAPTHTR2ARENKCNH2TACR1
SCHEMBL4591860 0.70 TACR1 (0.45) MAPTMBTPS1RENKCNH2TACR1

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