SCHEMBL4591463

SCHEMBL4591463

COc1cc(OCC#N)cc(C(=O)NC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MCHR1 Q99705 14/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.48

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
SCHEMBL2955316 0.87 ALDH1A1 (0.53) ALDH1A1MCHR1POLBMEN1KMT2A
SCHEMBL2963930 0.83 MEN1 (0.57) ALDH1A1MCHR1POLBMEN1KMT2A
SCHEMBL2954151 0.77 SSTR5 (0.61) ALDH1A1MCHR1
SCHEMBL2957960 0.77 SSTR5 (0.61) MCHR1
SCHEMBL2470064 0.75 MEN1 (0.84) ALDH1A1MCHR1POLBMEN1KMT2A
SCHEMBL89655 0.74 MEN1 (0.68) ALDH1A1MCHR1POLBMEN1KMT2A
SCHEMBL89358 0.74 MEN1 (0.68) ALDH1A1MCHR1POLBMEN1KMT2A
SCHEMBL2958163 0.73 SSTR5 (0.65) MCHR1LMNA
SCHEMBL2086693 0.73 MEN1 (0.66) ALDH1A1MCHR1POLBMEN1KMT2A
SCHEMBL2960162 0.72 ALDH1A1 (0.53) ALDH1A1MCHR1POLBMEN1KMT2A

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