SCHEMBL8516665

SCHEMBL8516665

CCCCc1ccc(C(=O)Nc2ccc3c(c2)C(N(C)C)CCC3)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.46
HCRTR2 O43614 8/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA5 P22460 4/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
DHODH Q02127 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8367446 0.83 KCNA5 (0.48) MEN1NPC1RAB9AKMT2AKCNA5
SCHEMBL8370053 0.83 DHODH (0.54) HCRTR1HCRTR2MEN1NPC1RAB9A
SCHEMBL8517477 0.70 PPARG (0.43) MEN1RAB9AKMT2APPARGPPARA
SCHEMBL8516703 0.68 PPARG (0.45) MEN1NPC1RAB9AKMT2APPARG
SCHEMBL7801348 0.68 PPARG (0.68) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL8369027 0.67 NPC1 (0.46) MEN1NPC1RAB9AKMT2ADHODH
SCHEMBL7799996 0.66 PPARA (0.89) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL11000139 0.65 CTSD (0.46) PPARGPPARAHTT
SCHEMBL8369053 0.64 NR1H4 (0.53) MEN1NPC1RAB9AKMT2AKCNA5
SCHEMBL10607832 0.64 ACHE (0.53)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed