SCHEMBL8088884

SCHEMBL8088884

CCCc1ccc(-c2[c]ccc(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
CA2 P00918 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MCL1 Q07820 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
ALOX5 P09917 1/20 0.33
MAOB P27338 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL8077770 0.86 LMNA (0.39) MAPTCA2TAAR1TP53NISCH
SCHEMBL6493292 0.84 CNR1 (0.40) NPC1RAB9AMAPTGFERCA2
SCHEMBL7154087 0.81 NPC1 (0.37) NPC1RAB9AMAPTGFERCA2
SCHEMBL8089864 0.81 MAOB (0.41) NPC1RAB9AMAPTGFERTAAR1
SCHEMBL5797082 0.78 MAOB (0.35) NPC1RAB9AMAPTALOX5MAOB
SCHEMBL2724725 0.78 NPC1 (0.35) NPC1RAB9AMAPTGFERCA2
SCHEMBL9648734 0.77 ACHE (0.41) NPC1RAB9AMAPTSMN1; SMN2MAOB
SCHEMBL10435172 0.75 MCL1 (0.46) NPC1RAB9AMAPTGFERCA2
SCHEMBL8169371 0.74 PLAU (0.38) NPC1RAB9AMAPTGFERMCL1
SCHEMBL8093170 0.74 NPBWR1 (0.49) ALOX5ALDH1A1

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-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed