SCHEMBL9528763

SCHEMBL9528763

CSC(=Nc1ccc(C#N)cc1)NC1CCC2CCCCC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
EPHX1 P07099 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EPHX2 P34913 3/20 0.32
CETP P11597 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PAX8 Q06710 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL9528808 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL10453854 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL9529338 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL10453587 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL10453586 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL9528814 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL10453853 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL9529332 0.85 EPHX1 (0.52) NOS3NOS1EPHX1NPC1RAB9A
SCHEMBL9529412 0.78 HSD17B10 (0.40) NOS3NOS1NPC1RAB9AHTT
SCHEMBL9529169 0.76 IDO1 (0.47) NOS3NOS1EPHX1NPC1RAB9A

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 2 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