SCHEMBL16067494

SCHEMBL16067494

CC[C@@H](Cc1cccc(I)c1)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
IDO1 P14902 2/20 0.41
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 3/20 0.40
CTSL P07711 2/20 0.40
CTSK P43235 2/20 0.40
MAPK8 P45983 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SLC7A5 Q01650 2/20 0.35
TACR1 P25103 1/20 0.35
PRKCA P17252 1/20 0.34

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
SCHEMBL16067620 0.87 CTSK (0.42) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL23347759 0.82 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL9280171 0.82 CTSK (0.55) CYP1A2RAB9ACTSBCTSLCTSK
SCHEMBL933328 0.74 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19THPORAB9A
SCHEMBL18568098 0.74 IDO1 (0.39) CYP1A2CYP2D6CYP2C19IDO1SMN1; SMN2
SCHEMBL11570937 0.73 CTSK (0.40) CTSBCTSLCTSKPRKCAPRKCD
SCHEMBL9960692 0.73 TDP1 (0.43) CTSBCTSLCTSKNOS3NOS1
SCHEMBL4182256 0.72 SLC7A5 (0.45) IDO1NOS3NOS1NOS2SLC7A5
SCHEMBL4679627 0.72 FOLH1 (0.48) IDO1CTSBSLC7A5
SCHEMBL4182260 0.72 SLC7A5 (0.45) IDO1NOS3NOS1NOS2SLC7A5

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-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
WO-2014142519-A1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2014-09-18 WO disclosed