SCHEMBL4591995

SCHEMBL4591995

COc1cc(OCC(O)CO)cc(C(=O)NC2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGDS O60760 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MCHR1 Q99705 10/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HTR4 Q13639 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
Hydrochloric Acid SCHEMBL2965004 0.99 MEN1 (0.53) MEN1KMT2AHPGDSALDH1A1ATM
Trifluoroacetic Acid SCHEMBL2962305 0.94 MEN1 (0.48) MEN1KMT2AHPGDSALDH1A1ATM
SCHEMBL2962307 0.86 MEN1 (0.48) MEN1KMT2AHPGDSALDH1A1ATM
SCHEMBL2963930 0.81 MEN1 (0.57) MEN1KMT2AHPGDSALDH1A1ATM
Hydrochloric Acid SCHEMBL2960842 0.80 MEN1 (0.56) MEN1KMT2AHPGDSALDH1A1ATM
SCHEMBL2953714 0.79 MEN1 (0.58) MEN1KMT2AHPGDSALDH1A1ATM
SCHEMBL2960509 0.79 MEN1 (0.55) MEN1KMT2AHPGDSALDH1A1ATM
SCHEMBL2960419 0.78 MEN1 (0.54) MEN1KMT2AHPGDSALDH1A1ATM
SCHEMBL2958369 0.78 MCHR1 (0.59) ALDH1A1MCHR1POLBLMNA
SCHEMBL4590657 0.78 MEN1 (0.62) MEN1KMT2AHPGDSALDH1A1ATM

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