SCHEMBL806099

SCHEMBL806099

C[C@H](I)Cc1cc(F)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.39
DPP4 P27487 3/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL13647366 0.83 RIPK1 (0.41) RIPK1DPP4FAPDPP8DPP9
SCHEMBL3458357 0.80 RIPK1 (0.42) RIPK1DPP4FAPDPP8DPP9
SCHEMBL438764 0.80 HTR2A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL439586 0.80 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL455119 0.80 HTR2A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL28026250 0.80 RIPK1 (0.42) RIPK1DPP4FAPDPP8DPP9
SCHEMBL10182854 0.78 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL14718631 0.72 RIPK1 (0.37) RIPK1DPP4FAPDPP8DPP9
SCHEMBL13692314 0.72 RIPK1 (0.37) RIPK1DPP4FAPDPP8DPP9
SCHEMBL489929 0.72 RIPK1 (0.41) RIPK1CES2CES1

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-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed