SCHEMBL16397264

SCHEMBL16397264

N[C@@H](CO)c1cccc(-c2cc(COc3ccccc3CC(=O)O)c(F)c(NC[C@@H]3CCCO3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.55
▸ F11 P03951 12/20 0.55
▸ TPSB2 P20231 9/20 0.55
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KLKB1 P03952 5/20 0.39
▸ PLG P00747 4/20 0.39
▸ PLAU P00749 4/20 0.39
▸ F7 P08709 4/20 0.39
▸ F2 P00734 3/20 0.39
▸ F9 P00740 3/20 0.39
▸ F10 P00742 3/20 0.39
▸ PLAT P00750 3/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ SLC18A2 Q05940 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CCR5 P51681 1/20 0.36

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
SCHEMBL16397266 1.00 CFD (0.55) CFDF11TPSB2HPGDMEN1
SCHEMBL16397586 0.89 CFD (0.55) CFDF11TPSB2HPGDMEN1
SCHEMBL16402498 0.87 CFD (0.54) CFDF11TPSB2HPGDKLKB1
SCHEMBL16402197 0.83 CFD (0.40) CFDF11TPSB2HPGDMEN1
SCHEMBL16397461 0.81 MEN1 (0.52) HPGDMEN1LMNAKMT2ACCR5
SCHEMBL16410526 0.79 CFD (0.72) CFDF11TPSB2KLKB1PLG
SCHEMBL17764367 0.79 CFD (0.72) CFDF11TPSB2KLKB1PLG
SCHEMBL16397048 0.77 CFD (0.54) CFDF11TPSB2KLKB1PLG
SCHEMBL16396177 0.76 HPGD (0.49) HPGDMEN1LMNAKMT2ACCR5
SCHEMBL16410444 0.75 CFD (0.44) CFDF11TPSB2HPGDKLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO disclosed
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