SCHEMBL19225958

SCHEMBL19225958

Cc1ccc(C(=N)C(N)=O)c(NCC(=O)N2CCC[C@H]2C(=O)NC[C@H]2CC2(Cl)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.40
▸ GFER P55789 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ F2 P00734 8/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PRSS1 P07477 3/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35

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
SCHEMBL19225838 0.91 CFD (0.39) CFDDPP4F2PRSS1PRSS2
SCHEMBL19225883 0.88 F2 (0.42) CFDF2PRSS1
SCHEMBL19225902 0.87 CFD (0.39) CFDDPP4F2PRSS1
SCHEMBL19225891 0.86 DPP4 (0.41) CFDDPP4F2PRSS1
SCHEMBL19225895 0.85 CFD (0.40) CFDF2PRSS1
SCHEMBL19225952 0.85 CFD (0.41) CFDDPP4F2PRSS1
SCHEMBL19225967 0.85 CFD (0.40) CFDF2PRSS1
SCHEMBL19225872 0.85 CFD (0.42) CFDNPC1RAB9A
SCHEMBL15602038 0.83 CFD (0.40) CFDNPC1RAB9A
SCHEMBL19226064 0.83 CFD (0.40) CFDDPP4F2PRSS1

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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