SCHEMBL19225838

SCHEMBL19225838

N=C(C(N)=O)c1ccc(Cl)cc1NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC1(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.39
▸ F2 P00734 15/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37

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
SCHEMBL19225891 0.93 DPP4 (0.41) CFDF2DPP4PREPFAP
SCHEMBL19225958 0.91 CFD (0.40) CFDF2DPP4PRSS1PRSS2
SCHEMBL19225883 0.89 F2 (0.42) CFDF2PREPFAPPRSS1
SCHEMBL19225902 0.88 CFD (0.39) CFDF2DPP4PRSS1
SCHEMBL19225952 0.86 CFD (0.41) CFDF2DPP4FAPALDH1A1
SCHEMBL19225967 0.86 CFD (0.40) CFDF2PREPPRSS1
SCHEMBL19225895 0.86 CFD (0.40) CFDF2PREPPRSS1
SCHEMBL19225829 0.84 CFD (0.41) CFDF2DPP4PREPFAP
SCHEMBL19226064 0.84 CFD (0.40) CFDF2DPP4PREPFAP
SCHEMBL19225941 0.84 CFD (0.42) CFDDPP4PREPFAP

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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