SCHEMBL22265161

SCHEMBL22265161

CC(C)(C)[S@+]([O-])NCCc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
MAOB P27338 3/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BCHE P06276 2/20 0.35
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
F2 P00734 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PTPRZ1 P23471 1/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL1063145 0.82 CACNA1I (0.34) CARM1PRMT6NPC1RAB9ASMN1; SMN2
SCHEMBL1063146 0.82 CACNA1I (0.34) CARM1PRMT6NPC1RAB9ASMN1; SMN2
SCHEMBL22265158 0.79 BCHE (0.51) MEN1KMT2ABCHEF2KCNH2
SCHEMBL2860573 0.76 DAO (0.41) MAOBKCNH2CYP2C19
SCHEMBL2860576 0.76 DAO (0.41) MAOBKCNH2CYP2C19
SCHEMBL17769191 0.75 SCN8A (0.39) CARM1PRMT6BCHEALDH1A1
SCHEMBL14157203 0.74 GRIA4 (0.46) NPC1RAB9ASMN1; SMN2LMNAKCNH2
SCHEMBL14975405 0.74 TAAR1 (0.52) CYP1A2CYP2C19
SCHEMBL3232650 0.74 TAAR1 (0.52) CYP1A2CYP2C19
SCHEMBL14157207 0.74 GRIA4 (0.46) NPC1RAB9ASMN1; SMN2LMNAKCNH2

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-3914351-A1 CARBAMATE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2021-12-01 EP disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 WO disclosed