SCHEMBL7113442

SCHEMBL7113442

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.51
▸ NPY1R P25929 6/20 0.51
▸ NPY2R P49146 4/20 0.51
▸ NPY5R Q15761 4/20 0.51
▸ OPRD1 P41143 5/20 0.49
▸ OPRM1 P35372 4/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ OPRL1 P41146 3/20 0.48

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
SCHEMBL7113436 1.00 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL7872640 0.92 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL7872647 0.92 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL7867783 0.91 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R
SCHEMBL22133174 0.91 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL7867797 0.91 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R
SCHEMBL13448837 0.89 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30437446 0.89 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29568941 0.89 OPRL1 (0.50) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL30903436 0.88 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5ROPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358342-A2 RETROVIRAL VECTORS FOR TRANSDUCTION INTO QUIESCENT CELLS AND PACKAGING SYSTEMS FOR THEM The Children's Medical Center Corporation (US) 2003-11-05 — — EP disclosed
WO-2002059338-A2 RETROVIRAL VECTORS FOR TRANSDUCTION INTO QUIESCENT CELLS AND PACKAGING SYSTEMS FOR THEM THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2002-08-01 — — WO disclosed
US-6303116-B1 CAPABLE OF TRANSDUCING THERAPEUTIC GENES INTO NON-DIVIDING CELLS. THOMAS JEFFERSON UNIVERSITY 2001-10-16 — — US disclosed
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