SCHEMBL15178317

SCHEMBL15178317

CCCC(Cc1cc(F)ccc1F)N=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.40
DPP7 Q9UHL4 11/20 0.40
DPP9 Q86TI2 10/20 0.40
DPP8 Q6V1X1 9/20 0.40
RIPK1 Q13546 1/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL15178306 0.81 TAS1R3 (0.37) RIPK1
SCHEMBL15178107 0.77 TRPA1 (0.41)
SCHEMBL14402452 0.77 DPP4 (0.44) DPP4DPP7DPP9DPP8RIPK1
SCHEMBL15178217 0.76 RIPK1 (0.35) DPP4DPP7DPP8RIPK1
SCHEMBL14402426 0.76 DPP4 (0.43) DPP4DPP7DPP9DPP8RIPK1
SCHEMBL13849908 0.76 DPP4 (0.43) DPP4DPP7DPP9DPP8RIPK1
SCHEMBL15178227 0.75 RIPK1 (0.37) DPP4RIPK1
SCHEMBL15178322 0.73 NR3C1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8281694 0.73 DPP4 (0.48) DPP4DPP7DPP9DPP8
SCHEMBL8282066 0.73 DPP4 (0.48) DPP4DPP7DPP9DPP8

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-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed