SCHEMBL19225952

SCHEMBL19225952

N=C(C(N)=O)c1cc(F)ccc1NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC1(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 3/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ DPP4 P27487 3/20 0.36
▸ F2 P00734 7/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PRSS1 P07477 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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 0.91 DPP4 (0.41) CFDDPP4F2PRSS1FAP
SCHEMBL19225902 0.91 CFD (0.39) CFDP2RX7DPP4F2PRSS1
SCHEMBL19225883 0.88 F2 (0.42) CFDF2PRSS1FAPCHRM3
SCHEMBL19225838 0.86 CFD (0.39) CFDDPP4F2ALDH1A1PRSS1
SCHEMBL19226064 0.85 CFD (0.40) CFDDPP4F2PRSS1FAP
SCHEMBL19225958 0.85 CFD (0.40) CFDDPP4F2PRSS1
SCHEMBL19226083 0.83 CFD (0.39) CFDP2RX7F2ALDH1A1PRSS1
SCHEMBL19225967 0.83 CFD (0.40) CFDF2PRSS1
SCHEMBL19225895 0.83 CFD (0.40) CFDF2PRSS1
SCHEMBL19226078 0.83 CFD (0.46) CFDF2PRSS1FAP

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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