SCHEMBL4591464

SCHEMBL4591464

CCOc1cc(CN(C(=O)c2cc(OC)cc(OCCCC(=O)O)c2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 3/20 0.37
TACR1 P25103 4/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
F2 P00734 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.35
MBTPS1 Q14703 1/20 0.35

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
SCHEMBL4591515 0.93 REN (0.39) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591455 0.85 TACR1 (0.37) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591939 0.85 SLC6A4 (0.38) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591832 0.84 HTR2A (0.40) SMN1; SMN2KCNH2TACR1SLC6A4SLC6A2
SCHEMBL4591868 0.84 CNR1 (0.41) RENKCNH2TACR1SLC6A4SLC6A2
SCHEMBL4591860 0.82 TACR1 (0.45) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591095 0.82 TACR1 (0.37) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4592104 0.81 SSTR5 (0.42) KCNH2TACR1HTR2A
SCHEMBL4591887 0.77 TACR1 (0.45) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591213 0.76 TACR1 (0.39) RENMEN1HPGDKMT2ASMN1; SMN2

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