SCHEMBL19225902

SCHEMBL19225902

N=C(C(N)=O)c1cc(F)c(F)cc1NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC1(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.39
▸ F2 P00734 10/20 0.36
▸ DPP4 P27487 5/20 0.35
▸ DPP8 Q6V1X1 4/20 0.35
▸ DPP9 Q86TI2 4/20 0.35
▸ DPP7 Q9UHL4 4/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ PRSS1 P07477 3/20 0.34
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL19225952 0.91 CFD (0.41) CFDF2DPP4KCNH2PRSS1
SCHEMBL19225891 0.88 DPP4 (0.41) CFDF2DPP4PRSS1
SCHEMBL19225838 0.88 CFD (0.39) CFDF2DPP4PRSS1
SCHEMBL19225958 0.87 CFD (0.40) CFDF2DPP4PRSS1
SCHEMBL19225883 0.87 F2 (0.42) CFDF2DPP8DPP9PRSS1
SCHEMBL19225967 0.84 CFD (0.40) CFDF2PRSS1
SCHEMBL19226064 0.84 CFD (0.40) CFDF2DPP4DPP8DPP9
SCHEMBL19225895 0.84 CFD (0.40) CFDF2PRSS1
SCHEMBL19225890 0.81 CFD (0.43) CFDF2DPP4DPP8DPP7
SCHEMBL19226078 0.81 CFD (0.46) CFDF2PRSS1

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-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 — — EP disclosed
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