SCHEMBL3661003

SCHEMBL3661003

FC(F)(F)ONNCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TAAR1 Q96RJ0 2/20 0.44
ATM Q13315 1/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL2540816 0.81 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL3659014 0.79 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10395199 0.75 SMN1; SMN2 (0.64) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL3489021 0.70 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2TAAR1ATM
SCHEMBL1258399 0.70 L3MBTL1 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
Bromide SCHEMBL29261106 0.68 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL351861 0.68 IDO1 (0.43) SMN1; SMN2ALDH1A1CYP3A4IDO1MAOA
Iodide SCHEMBL29029106 0.68 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL18554620 0.68 L3MBTL1 (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL1231267 0.68 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2TAAR1

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-2234615-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS Wyeth LLC (US) 2010-10-06 EP disclosed
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed