SCHEMBL6949602

SCHEMBL6949602

CSc1ccc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
KDM1A O60341 3/20 0.34
MAOB P27338 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CCR3 P51677 1/20 0.34
CCR2 P41597 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNH2 Q12809 1/20 0.33
DDB1 Q16531 1/20 0.33

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
SCHEMBL6960968 0.93 GPR119 (0.40) GPR119MEN1KMT2AKDM1ARAB9A
SCHEMBL6952166 0.88 REN (0.41) MEN1KMT2AKDM1AMAOB
SCHEMBL6952362 0.88 MEN1 (0.39) MEN1KMT2ALIPGKDM1AMAOB
SCHEMBL6955914 0.86 GPR119 (0.43) GPR119
SCHEMBL6953003 0.86 GPR119 (0.36) GPR119KDM1ANPC1POLBRAB9A
SCHEMBL7076957 0.84 MC4R (0.36) LIPGKDM1AMAOBNPC1RAB9A
SCHEMBL7078323 0.84 REN (0.45)
SCHEMBL6957468 0.83 MC4R (0.37) LIPGNPC1RAB9A
SCHEMBL6960686 0.83 KCNH2 (0.35) LIPGMAOBPOLBBACE1BACE2
SCHEMBL6959428 0.83 SLC6A4 (0.39) CCR3BACE1BACE2

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