SCHEMBL16396408

SCHEMBL16396408

N[C@@H](CF)c1cccc(-c2cc(COc3ccccc3CC(=O)O)cc(OC[C@H]3CCCO3)c2)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 17/20 0.46
▸ F11 P03951 10/20 0.42
▸ TPSB2 P20231 9/20 0.42
▸ KLKB1 P03952 3/20 0.40
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ F7 P08709 2/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ F9 P00740 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC18A2 Q05940 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL16396409 1.00 CFD (0.46) CFDF11TPSB2KLKB1PLG
SCHEMBL17764256 1.00 CFD (0.46) CFDF11TPSB2KLKB1PLG
SCHEMBL17764466 0.94 CFD (0.47) CFDF11TPSB2KLKB1PLG
SCHEMBL16410419 0.94 CFD (0.47) CFDF11TPSB2KLKB1PLG
SCHEMBL17764340 0.92 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL16410549 0.92 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL16410481 0.92 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL17764393 0.92 CFD (0.48) CFDF11TPSB2KLKB1PLG
SCHEMBL16410589 0.90 CFD (0.47) CFDF11TPSB2KLKB1PLG
SCHEMBL16396446 0.90 CFD (0.49) CFDF11TPSB2KLKB1PLG

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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