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SCHEMBL6884087

SCHEMBL6884087

Cc1cc(OC(CCON=C(N)NOCCC(Oc2cc(C)cc(OS(=O)(=O)c3ccccc3S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PRSS2 P07478 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CTRC Q99895 1/20 0.34

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
SCHEMBL7188561 0.91 F2 (0.39) F2ALDH1A1PRSS2F10
SCHEMBL6888570 0.87 F2 (0.42) F2ALDH1A1MAPTTSHR
SCHEMBL6890202 0.87 F2 (0.39) F2ALDH1A1MAPTTSHR
SCHEMBL6890602 0.85 F2 (0.39) F2ALDH1A1PKMMAPTPRSS2
Hydrochloric Acid SCHEMBL7647046 0.79 F2 (0.45) F2ALDH1A1PKMMAPTPRSS2
SCHEMBL6890605 0.77 F2 (0.52) F2PRSS2CTRC
SCHEMBL6745881 0.76 F2 (0.68) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6749722 0.75 F2 (0.67) F2PRSS2CTRC
SCHEMBL6888650 0.75 F2 (0.39) F2PRSS2F10CTRC
SCHEMBL6890596 0.74 F2 (0.39) F2ALDH1A1PKMMAPTPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 — — US disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 — — US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 — — US disclosed