SCHEMBL8528706

SCHEMBL8528706

CNS(=O)(=O)Cc1ccc(CN[C@@H](CCCNC(=N)N)C(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS11D O60235 11/20 0.43
▸ F2 P00734 5/20 0.43
▸ F10 P00742 5/20 0.43
▸ PLG P00747 5/20 0.43
▸ TMPRSS2 O15393 2/20 0.42
▸ NPY1R P25929 6/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPY4R P50391 2/20 0.39
▸ NPY5R Q15761 1/20 0.39

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
SCHEMBL5057899 0.86 NPY1R (0.53) NPY1RNPY4RNPY5R
SCHEMBL1388313 0.85 NPY1R (0.44) NPY1RTLR2NPY4RNPY5R
SCHEMBL4651777 0.84 CNR1 (0.48) NPY1RTLR2NPY4RNPY5R
SCHEMBL8122927 0.84 NPY1R (0.42) NPY1RTLR2POLBNPY4RNPY5R
SCHEMBL1388761 0.83 NPY1R (0.51) NPY1RNPY4RNPY5R
SCHEMBL4651114 0.81 NPY1R (0.45) NPY1RTLR2NPY4RNPY5R
SCHEMBL8612664 0.80 CNR1 (0.44) NPY1RNPY5R
SCHEMBL4650707 0.80 NPY1R (0.43) NPY1RTLR2NPY4RNPY5R
SCHEMBL4651537 0.79 CYP3A4 (0.46) NPY1RTLR2
SCHEMBL4651789 0.79 TRPV1 (0.43) NPY1RPOLB

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP claimed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO claimed
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