SCHEMBL7848490

SCHEMBL7848490

CC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc3c(c2)CN(Cc2ccccc2)CCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.47
STS P08842 1/20 0.44
TGFBR1 P36897 2/20 0.43
ACHE P22303 1/20 0.42
KDM1A O60341 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7855571 0.90 GPR119 (0.52) GPR119STSTGFBR1KDM4EPKM
SCHEMBL7850501 0.86 ACHE (0.51) ACHE
SCHEMBL7847387 0.85 GPR119 (0.52) GPR119
SCHEMBL7847062 0.84 ACACB (0.48) GPR119
SCHEMBL7847275 0.84 ACHE (0.42) GPR119STSACHEKDM1ANPC1
SCHEMBL7847345 0.83 ACHE (0.43) GPR119STSACHEKDM1ANPC1
SCHEMBL7848598 0.82 GPR119 (0.49) GPR119NPC1RAB9APKM
SCHEMBL7838652 0.81 HRH3 (0.52) GPR119KDM1A
SCHEMBL7847148 0.79 GPR119 (0.51) GPR119NPC1RAB9A
SCHEMBL7847185 0.79 GPR119 (0.54) GPR119NPC1RAB9A

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
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed