SCHEMBL7364973

SCHEMBL7364973

CC(C)NS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 10/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
F2 P00734 4/20 0.49
F10 P00742 2/20 0.49
PLG P00747 2/20 0.49
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.46
TACR1 P25103 2/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL8770769 0.92 TMPRSS11D (0.51) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL7358827 0.91 TMPRSS11D (0.52) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL15252029 0.86 TMPRSS11D (0.59) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL15366489 0.86 TMPRSS11D (0.59) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL15251950 0.84 TMPRSS11D (0.48) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL15251832 0.84 TMPRSS11D (0.48) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL15366284 0.84 TMPRSS11D (0.48) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL8770799 0.84 F10 (0.55) TMPRSS11DF2F10TACR1
SCHEMBL7706395 0.83 ALDH1A1 (0.55) TMPRSS11DCYP3A4CYP2C9PKMCYP2C19
SCHEMBL6783676 0.83 TMPRSS11D (0.46) TMPRSS11DF2F10PLG

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
EP-0796271-B1 DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AG (DE) 2000-02-02 EP disclosed
EP-0796271-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed
WO-1996017860-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed