SCHEMBL7445001

SCHEMBL7445001

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
NPY4R P50391 7/20 0.43
NPY5R Q15761 6/20 0.43
NPY1R P25929 5/20 0.43
NPY2R P49146 3/20 0.43
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.38

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
SCHEMBL7442250 1.00 EPHX2 (0.46) EPHX2NPY4RNPY5RNPY1RNPY2R
SCHEMBL9439808 1.00 EPHX2 (0.46) EPHX2NPY4RNPY5RNPY1RNPY2R
SCHEMBL7442799 1.00 EPHX2 (0.46) EPHX2NPY4RNPY5RNPY1RNPY2R
SCHEMBL7438925 1.00 EPHX2 (0.46) EPHX2NPY4RNPY5RNPY1RNPY2R
SCHEMBL7445683 1.00 EPHX2 (0.46) EPHX2NPY4RNPY5RNPY1RNPY2R
SCHEMBL7442006 1.00 EPHX2 (0.46) EPHX2NPY4RNPY5RNPY1RNPY2R
SCHEMBL7441948 0.99 EPHX2 (0.44) EPHX2NPY4RNPY5RNPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614791 0.94 NPY4R (0.49) EPHX2NPY4RNPY5RNPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614815 0.94 NPY4R (0.49) EPHX2NPY4RNPY5RNPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614806 0.94 NPY4R (0.49) EPHX2NPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 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
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed