SCHEMBL4590660

SCHEMBL4590660

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HPGDS O60760 2/20 0.55
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTR4 Q13639 2/20 0.51
MCHR1 Q99705 6/20 0.48
MAPK1 P28482 1/20 0.47
OPRK1 P41145 1/20 0.47
SMYD3 Q9H7B4 2/20 0.47
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
POLB P06746 1/20 0.45

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 SCHEMBL2954893 0.99 MEN1 (0.60) MEN1KMT2AHPGDSATML3MBTL1
SCHEMBL29890124 0.90 MEN1 (0.70) MEN1KMT2AHPGDSATML3MBTL1
SCHEMBL2957973 0.86 MEN1 (0.62) MEN1KMT2AHPGDSATML3MBTL1
SCHEMBL4590657 0.86 MEN1 (0.62) MEN1KMT2AHPGDSATML3MBTL1
SCHEMBL2953714 0.83 MEN1 (0.58) MEN1KMT2AHPGDSATML3MBTL1
SCHEMBL1711687 0.81 ALDH1A1 (0.63) MEN1KMT2AHPGDSLMNAALDH1A1
SCHEMBL29530916 0.81 ALDH1A1 (0.63) MEN1KMT2AHPGDSLMNAALDH1A1
SCHEMBL2470064 0.81 MEN1 (0.84) MEN1KMT2AATML3MBTL1LMNA
SCHEMBL14822111 0.81 HTR4 (0.54) KMT2AALDH1A1HTR4SMYD3GAA
SCHEMBL2963930 0.80 MEN1 (0.57) MEN1KMT2AHPGDSATML3MBTL1

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