SCHEMBL9527772

SCHEMBL9527772

CSC(=Nc1ccc(C#N)cc1)NCC1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NAMPT P43490 1/20 0.38
EPHX1 P07099 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 3/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL9527770 1.00 NOS3 (0.40) NOS3NOS1NAMPTEPHX1MAOA
SCHEMBL10452541 1.00 NOS3 (0.40) NOS3NOS1NAMPTEPHX1MAOA
SCHEMBL10452540 1.00 NOS3 (0.40) NOS3NOS1NAMPTEPHX1MAOA
SCHEMBL10453680 0.83 SMN1; SMN2 (0.44) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL10453682 0.83 SMN1; SMN2 (0.44) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL10453673 0.83 EPHX1 (0.50) EPHX1NPC1KMT2AHTTTSHR
SCHEMBL10453672 0.83 EPHX1 (0.50) EPHX1NPC1KMT2AHTTTSHR
SCHEMBL10453853 0.81 EPHX1 (0.52) NOS3NOS1EPHX1MAOAMAOB
SCHEMBL9528808 0.81 EPHX1 (0.52) NOS3NOS1EPHX1MAOAMAOB
SCHEMBL9528814 0.81 EPHX1 (0.52) NOS3NOS1EPHX1MAOAMAOB

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-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed