SCHEMBL6956029

SCHEMBL6956029

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCc3nnc(-c4ccccc4)o3)cc2)C(O)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 5/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7080921 0.85 REN (0.46) MEN1KMT2APOLBTP53MAPT
SCHEMBL6959509 0.84 NPC1 (0.44) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6041420 0.82 MEN1 (0.53) MEN1KMT2APOLBTP53MAPT
SCHEMBL7074937 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL6958396 0.82 RAB9A (0.45) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL6954512 0.81 PDE4B (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6951315 0.81 PDE4B (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL6956098 0.79 MEN1 (0.39) MEN1KMT2A
SCHEMBL6959176 0.79 MEN1 (0.39) MEN1KMT2A
SCHEMBL6959516 0.79 KMT2A (0.39) MEN1KMT2APOLBALDH1A1KDM4E

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