SCHEMBL12187616

SCHEMBL12187616

CC(C)(C)[S+]([O-])N/C(=C\C(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.51
▸ DPP8 Q6V1X1 7/20 0.51
▸ DPP9 Q86TI2 2/20 0.51
▸ DPP7 Q9UHL4 2/20 0.51
▸ ACE P12821 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ FAP Q12884 1/20 0.51

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
SCHEMBL12187862 1.00 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL12187858 1.00 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL16750213 0.87 DPP4 (0.56) DPP4DPP8DPP9DPP7ACE
SCHEMBL21497518 0.84 DPP4 (0.55) DPP4DPP8DPP9DPP7ACE
SCHEMBL17001389 0.84 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE
SCHEMBL7927394 0.83 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL1136100 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL1136099 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL1136102 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL30406108 0.81 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE

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-2011142825-A2 NOVEL SULFUR CONTAINING COMPOUNDS DISSYMMETRIX (P) LTD. (IN) 2011-11-17 — — WO disclosed
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