SCHEMBL7081674

SCHEMBL7081674

CC(C)(C)OC(=O)ON1CCC(c2ccc(C#N)cc2)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
KDM1A O60341 7/20 0.39
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 3/20 0.35
KDM4D Q6B0I6 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
SCHEMBL6949144 0.86 GPR119 (0.39) GPR119KDM1AMEN1KMT2A
SCHEMBL5562101 0.86 MEN1 (0.39) KDM1AMEN1KMT2A
SCHEMBL4602631 0.86 MEN1 (0.39) KDM1AMEN1KMT2A
SCHEMBL6947706 0.85 MEN1 (0.38) KDM1AMEN1KMT2A
SCHEMBL6958285 0.85
SCHEMBL6954303 0.85 MEN1 (0.38) KDM1AMEN1KMT2AHRH3
SCHEMBL6950872 0.85 HTT (0.45) GPR119KDM1AMEN1KMT2AHRH3
SCHEMBL6951206 0.83 MEN1 (0.39) GPR119KDM1AMEN1KMT2AHRH3
SCHEMBL6960005 0.82 MEN1 (0.39) KDM1AMEN1KMT2AKDM4D
SCHEMBL6954859 0.82 MEN1 (0.40) GPR119KDM1AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed