SCHEMBL19225827

SCHEMBL19225827

N=C(C(N)=O)c1ccccc1NCC(=O)N1CCC[C@H]1C(=O)NC(CO)C1CC1(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 6/20 0.40
▸ NTMT1 Q9BV86 1/20 0.36
▸ F2 P00734 4/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ TACR1 P25103 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ACE P12821 2/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL19225882 0.89 CFD (0.40) CFDNTMT1F2TACR1ACE
SCHEMBL19225883 0.83 F2 (0.42) CFDF2DPP8
SCHEMBL19225888 0.82 CFD (0.38) CFDNTMT1TACR1ACEMEN1
SCHEMBL19225860 0.82 CFD (0.36) CFDF2
SCHEMBL19225842 0.80 DPP4 (0.47) DPP4DPP8ACE
SCHEMBL19225829 0.79 CFD (0.41) CFDF2DPP4
SCHEMBL19225834 0.79 F2 (0.40) CFDF2DPP8
SCHEMBL15602022 0.78 CFD (0.42) CFD
SCHEMBL19225889 0.78 F2 (0.40) CFDF2DPP8
SCHEMBL15597282 0.76 CFD (0.42) CFDNTMT1F2KMT2A

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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