SCHEMBL7436345

SCHEMBL7436345

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
EPHX2 P34913 4/20 0.35
NPY4R P50391 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY5R Q15761 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
ENPEP Q07075 5/20 0.32

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
SCHEMBL7439764 0.99 EPHX2 (0.36) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7441948 0.88 EPHX2 (0.44) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7443379 0.87 NPY4R (0.43) ITGB3ITGA2BEPHX2NPY4RNPY1R
SCHEMBL9439808 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7442799 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7445683 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7438925 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7445001 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7442006 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R
SCHEMBL7442250 0.87 EPHX2 (0.46) SMN1; SMN2ITGB3ITGA2BEPHX2NPY4R

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