SCHEMBL19225839

SCHEMBL19225839

CC1CCCC(CNC(=O)[C@@H]2CCCN2C(=O)CNc2cnccc2C(=N)C(N)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.45
▸ F2 P00734 8/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ KDM4C Q9H3R0 2/20 0.38
▸ CHRM2 P08172 2/20 0.36
▸ CHRM3 P20309 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
SCHEMBL19225907 0.94 CFD (0.44) CFDF2PRSS1KDM4CCHRM2
SCHEMBL15602111 0.88 CFD (0.42) CFDF2PRSS1KDM4C
SCHEMBL19225959 0.88 CFD (0.40) CFDF2PRSS1KDM4CCHRM2
SCHEMBL19225885 0.85 CFD (0.42) CFDF2PRSS1KDM4C
SCHEMBL15602100 0.84 F2 (0.45) CFDF2PRSS1CHRM3
SCHEMBL19225824 0.84 CFD (0.47) CFDF2PRSS1KDM4CCHRM2
SCHEMBL19225835 0.83 CFD (0.42) CFDF2PRSS1KDM4C
SCHEMBL19225895 0.83 CFD (0.40) CFDF2PRSS1KDM4C
SCHEMBL19225967 0.83 CFD (0.40) CFDF2PRSS1KDM4C
SCHEMBL19225822 0.80 CFD (0.40) CFDF2PRSS1KDM4CCHRM2

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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