SCHEMBL29198264

SCHEMBL29198264

CC(C)(C)OC(=O)N1CCC(n2c(=S=O)[nH]c3c(Br)cccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.42
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
CCR5 P51681 1/20 0.41
HCAR1 Q9BXC0 1/20 0.39
STS P08842 1/20 0.39
FPR2 P25090 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL28501201 0.88 HSD11B1 (0.50) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL28516344 0.84 HCAR1 (0.48) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL28510485 0.78 HSD11B1 (0.61) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL29198159 0.76 PARP1 (0.42) GPR119CCR5KDM4EMAPTTHRB
SCHEMBL28511175 0.76 CCR5 (0.50) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL28505601 0.76 CCR5 (0.50) GPR119CCR5HCAR1FPR2KDM4E
SCHEMBL31134382 0.76 GPR119 (0.47) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL28498684 0.76 CCR5 (0.48) GPR119PRKCGPRKCBPRKCAPRKCH
SCHEMBL29198169 0.75 PARP1 (0.42) GPR119CCR5KDM4EMAPTTHRB
SCHEMBL3246870 0.75 OPRM1 (0.55) GPR119PRKCGPRKCBPRKCAPRKCH

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
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed