SCHEMBL19225835

SCHEMBL19225835

CC1(C)[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)CNc2cnccc2C(=N)C(N)=O)C1(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.42
▸ F2 P00734 7/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ KDM4C Q9H3R0 5/20 0.35
▸ PREP P48147 3/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 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
SCHEMBL19225885 0.89 CFD (0.42) CFDF2PRSS1KDM4CPREP
SCHEMBL19225895 0.89 CFD (0.40) CFDF2PRSS1KDM4CPREP
SCHEMBL19225967 0.89 CFD (0.40) CFDF2PRSS1KDM4CPREP
SCHEMBL19225889 0.88 F2 (0.40) CFDF2PRSS1PREPFAP
SCHEMBL15602111 0.85 CFD (0.42) CFDF2PRSS1KDM4CPREP
SCHEMBL19225839 0.83 CFD (0.45) CFDF2PRSS1KDM4C
SCHEMBL19225946 0.83 CFD (0.40) CFDF2PRSS1KDM4CPREP
SCHEMBL19226064 0.82 CFD (0.40) CFDF2PRSS1PREPDPP4
SCHEMBL15602022 0.82 CFD (0.42) CFDKDM4CPREPFAP
SCHEMBL19225823 0.81 CFD (0.40) CFDF2KDM4CPREPFAP

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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