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SCHEMBL9751973

SCHEMBL9751973

N=C(N)NCCCC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)NC(CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.57
▸ NPY1R P25929 9/20 0.57
▸ NPY5R Q15761 8/20 0.57
▸ NPY2R P49146 5/20 0.57
▸ KISS1R Q969F8 4/20 0.50

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
SCHEMBL9751974 1.00 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30688833 0.95 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31679470 0.94 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31184580 0.91 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31184390 0.91 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31679394 0.91 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29637467 0.90 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30089376 0.90 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30450301 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL3217302 0.90 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454782-A1 CANCER RELATED HAPTOGLOBIN (HPR). UNIV JOHNS HOPKINS (US) 1991-11-06 — — EP disclosed
WO-1990008324-A1 CANCER RELATED HAPTOGLOBIN (HPR) THE JOHNS HOPKINS UNIVERSITY (US) 1990-07-26 — — WO disclosed