SCHEMBL7308890

SCHEMBL7308890

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.40
NPY1R P25929 5/20 0.40
NPY2R P49146 4/20 0.40
NPY5R Q15761 4/20 0.40
KEAP1 Q14145 1/20 0.37
NOD1 Q9Y239 1/20 0.37
CXCR4 P61073 2/20 0.36
DPP7 Q9UHL4 1/20 0.35
OPRL1 P41146 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL7443956 0.94 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL7306618 0.88 PTGS1 (0.43) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL20783903 0.87 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30186441 0.87 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL17347853 0.87 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL9440021 0.87 NOD1 (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL18132953 0.87 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL19139 0.87 NOD1 (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL19138 0.87 NOD1 (0.43) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL19629051 0.87 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RKEAP1

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 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
US-4952562-A TREATMENT OF CARDIOVASCULAR DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1990-08-28 US disclosed