SCHEMBL7435865

SCHEMBL7435865

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.55
NPY4R P50391 10/20 0.50
NPY5R Q15761 6/20 0.50
NPY1R P25929 5/20 0.50
NPY2R P49146 3/20 0.50
EPHX2 P34913 2/20 0.42
PLA2G2C Q5R387 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL7440952 0.96 PLA2G10 (0.54) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7434794 0.93 NPY4R (0.51) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7440625 0.88 NPY4R (0.53) PLA2G10NPY4RNPY5RNPY1RNPY2R
SCHEMBL7435837 0.86 NPY4R (0.59) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL9439808 0.82 EPHX2 (0.46) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7442799 0.82 EPHX2 (0.46) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7438925 0.82 EPHX2 (0.46) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7445001 0.82 EPHX2 (0.46) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7442006 0.82 EPHX2 (0.46) NPY4RNPY5RNPY1RNPY2REPHX2
SCHEMBL7445683 0.82 EPHX2 (0.46) 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 4 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 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