SCHEMBL27366164

SCHEMBL27366164

C=NC(=O)c1ccc(C2CCCC2C)c(S(C)(=O)=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL27367149 0.88 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2PKMHTT
SCHEMBL27350098 0.87 SLC9A1 (0.30) TAS1R3TAS1R1TAS1R2
SCHEMBL8530995 0.87 SLC9A1 (0.40)
SCHEMBL27398634 0.85 SLC9A1 (0.31)
SCHEMBL27351397 0.85 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL27439068 0.84 MEN1 (0.31)
SCHEMBL8583100 0.82 FFAR4 (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL27526795 0.81 SLC9A1 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL8529506 0.78 SLC9A1 (0.37)
SCHEMBL8531065 0.76 SLC9A1 (0.41)

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
CN-1055920-C Alkyl benzoylguanidines derivatives MERCK PATENT GMBH (DE) 2000-08-30 CN disclosed
CN-1128753-A Alkyl benzoylguanidines derivatives MERCK PATENT GMBH (DE) 1996-08-14 CN disclosed