SCHEMBL7443379

SCHEMBL7443379

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN(C)C(=O)CCCCCNC(=N)N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 12/20 0.43
NPY5R Q15761 8/20 0.43
NPY1R P25929 7/20 0.43
NPY2R P49146 5/20 0.43
EPHX2 P34913 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CAPN1 P07384 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
SCHEMBL7440625 0.88 NPY4R (0.53) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7439764 0.88 EPHX2 (0.36) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7436345 0.87 SMN1; SMN2 (0.36) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7435837 0.82 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2REPHX2
Trifluoroacetic Acid SCHEMBL7443482 0.79 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2RITGB3
SCHEMBL7435865 0.77 PLA2G10 (0.55) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7440952 0.77 PLA2G10 (0.54) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7434794 0.77 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL30797883 0.77 NPY4R (0.55) NPY4RNPY5RNPY1RNPY2R
SCHEMBL7443489 0.76 NPY4R (0.48) NPY4RNPY5RNPY1RNPY2REPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP claimed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US claimed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP claimed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO claimed
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed