SCHEMBL19225883

SCHEMBL19225883

N=C(C(N)=O)c1ccccc1NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC1(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.42
▸ PRSS1 P07477 3/20 0.40
▸ CFD P00746 4/20 0.39
▸ CHRM3 P20309 1/20 0.37
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ POLB P06746 1/20 0.36

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 0.89 DPP4 (0.41) F2PRSS1CFDPREPFAP
SCHEMBL19225838 0.89 CFD (0.39) F2PRSS1CFDPREPFAP
SCHEMBL19225834 0.89 F2 (0.40) F2PRSS1CFDCHRM3PREP
SCHEMBL19225952 0.88 CFD (0.41) F2PRSS1CFDCHRM3FAP
SCHEMBL19225895 0.88 CFD (0.40) F2PRSS1CFDPREP
SCHEMBL19225958 0.88 CFD (0.40) F2PRSS1CFD
SCHEMBL19226064 0.88 CFD (0.40) F2PRSS1CFDPREPFAP
SCHEMBL19225967 0.88 CFD (0.40) F2PRSS1CFDPREP
SCHEMBL19225889 0.88 F2 (0.40) F2PRSS1CFDCHRM3PREP
SCHEMBL19225902 0.87 CFD (0.39) F2PRSS1CFDDPP8DPP9

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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