SCHEMBL19225834

SCHEMBL19225834

CC1C(CNC(=O)[C@@H]2CCCN2C(=O)CNc2ccccc2C(=N)C(N)=O)C1(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ CFD P00746 2/20 0.39
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ CHRM3 P20309 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 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
SCHEMBL19225889 0.89 F2 (0.40) F2PRSS1CFDITGB1ITGA4
SCHEMBL19225883 0.89 F2 (0.42) F2PRSS1CFDCHRM3PREP
SCHEMBL19225885 0.88 CFD (0.42) F2PRSS1CFDPREP
SCHEMBL15602277 0.86 CFD (0.40) CFD
SCHEMBL15602100 0.85 F2 (0.45) F2PRSS1CFDITGB1ITGA4
SCHEMBL19226058 0.83 CFD (0.40) F2PRSS1CFDITGB1ITGA4
SCHEMBL15599954 0.82 F2 (0.42) F2PRSS1CFDITGB1ITGA4
SCHEMBL19225842 0.82 DPP4 (0.47) PREPFAPDPP8DPP9
SCHEMBL19225882 0.81 CFD (0.40) F2CFDFAP
SCHEMBL19225827 0.79 CFD (0.40) F2CFDDPP8

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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