SCHEMBL19225907

SCHEMBL19225907

CC(=O)C(=N)c1ccncc1NCC(=O)N1CCC[C@H]1C(=O)NCC1CCCC(C)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 8/20 0.44
▸ KDM4C Q9H3R0 3/20 0.38
▸ F2 P00734 5/20 0.37
▸ PRSS1 P07477 3/20 0.37
▸ CHRM3 P20309 3/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 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
SCHEMBL19225959 0.94 CFD (0.40) CFDKDM4CF2PRSS1CHRM3
SCHEMBL19225839 0.94 CFD (0.45) CFDKDM4CF2PRSS1CHRM3
SCHEMBL19225824 0.90 CFD (0.47) CFDKDM4CF2PRSS1CHRM3
SCHEMBL19225818 0.86 CFD (0.42) CFDKDM4CF2PRSS1CHRM3
SCHEMBL19225822 0.86 CFD (0.40) CFDKDM4CF2PRSS1CHRM3
SCHEMBL19225826 0.84 CFD (0.43) CFDKDM4CF2PRSS1
SCHEMBL19225946 0.84 CFD (0.40) CFDKDM4CF2PRSS1
SCHEMBL19226032 0.83 CFD (0.44) CFDKDM4CF2PRSS1
SCHEMBL19225960 0.83 CFD (0.43) CFDKDM4CF2PRSS1KMT2A
SCHEMBL15602111 0.81 CFD (0.42) CFDKDM4CF2PRSS1

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
Send feedback