SCHEMBL4591515

SCHEMBL4591515

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 4/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2A P28223 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 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
SCHEMBL4591464 0.93 REN (0.38) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591939 0.84 SLC6A4 (0.38) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591280 0.84 CNR1 (0.41) RENTACR1SLC6A2SLC6A4SLC6A3
SCHEMBL4591832 0.84 HTR2A (0.40) SMN1; SMN2TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL4591455 0.83 TACR1 (0.37) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591095 0.81 TACR1 (0.37) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591887 0.78 TACR1 (0.45) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591860 0.78 TACR1 (0.45) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL4591473 0.77 TACR1 (0.41) TACR1KCNH2HTR2A
SCHEMBL4592104 0.77 SSTR5 (0.42) TACR1KCNH2HTR2A

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