SCHEMBL6951299

SCHEMBL6951299

O=C(O)ON1CCC(c2ccc(OCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
S1PR5 Q9H228 1/20 0.49
KDM1A O60341 3/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
HRH3 Q9Y5N1 4/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6951052 0.92 KDM4E (0.44) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6952881 0.88 MEN1 (0.42) NPC1RAB9AS1PR5KDM1AHRH3
SCHEMBL6947646 0.88 MEN1 (0.42) NPC1RAB9AKDM1ASMN1; SMN2KDM4E
SCHEMBL6958492 0.88 S1PR1 (0.48) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6954704 0.86 MEN1 (0.41) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6951786 0.86 KMT2A (0.41) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL7079662 0.86 REN (0.42) NPC1RAB9AKDM1AMAOAMAOB
SCHEMBL6959509 0.86 NPC1 (0.44) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6954026 0.85 SLC18A3 (0.51) NPC1RAB9AHRH3TP53SMN1; SMN2
SCHEMBL6959905 0.85 S1PR1 (0.39) NPC1RAB9AS1PR5KDM1AMAOA

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