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SCHEMBL270044

SCHEMBL270044

CSCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.68
▸ NPY2R P49146 1/20 0.68
▸ NPY4R P50391 1/20 0.68
▸ NPY5R Q15761 1/20 0.68
▸ GLP1R P43220 9/20 0.67
▸ CXCR4 P61073 5/20 0.67
▸ CALCA P06881 2/20 0.67
▸ GCGR P47871 3/20 0.66
▸ MC4R P32245 1/20 0.64
▸ MC5R P33032 1/20 0.64
▸ MC3R P41968 1/20 0.64
▸ MC1R Q01726 1/20 0.64
▸ PTH1R Q03431 1/20 0.63

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
SCHEMBL30578730 0.90 NPY1R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906412 0.88 GLP1R (0.65) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906401 0.88 GLP1R (0.65) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29351953 0.88 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29355231 0.88 NPY1R (0.76) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30527868 0.88 GLP1R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906504 0.88 GLP1R (0.66) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31060386 0.88 CALCA (0.75) NPY1RNPY2RNPY4RNPY5RGLP1R
Water SCHEMBL29941416 0.87 NPY1R (0.75) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30640750 0.87 CXCR4 (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133505-B2 Transdermal delivery system for dried particulate or lyophilized medications TRANSPHARMA MEDICAL LTD. (IL) 2012-03-13 — — US disclosed
US-20090137480-A1 TRANSDERMAL DELIVERY SYSTEM FOR DRIED PARTICULATE OR LYOPHILIZED MEDICATIONS CANDELA CORPORATION 2009-05-28 — — US disclosed
EP-0665755-B1 PREPARATION OF PHARMACEUTICAL COMPOSITIONS CONTAINING A CALCITONIN SMITHKLINE BEECHAM FARMA (IT) 1998-07-01 — — EP disclosed
US-5719122-A ENHANCING TRANSDERMAL OR TRANSMUCOSAL ABSORPTION BY ADMINISTERING WITH A SATURATED POLYGLYCOLYSED GLYCERIDE SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1998-02-17 — — US disclosed
EP-0526524-B1 PHARMACEUTICAL COMPOSITIONS SMITH KLINE FRENCH LAB (GB) 1995-12-13 — — EP disclosed
EP-0665755-A1 PREPARATION OF PHARMACEUTICAL COMPOSITIONS CONTAINING A CALCITONIN Smithkline Beecham Farmaceutici S.p.A. (IT) 1995-08-09 — — EP disclosed
CN-1027225-C Composition containing calcitonin and its preparation method ISF SPA (IT) 1995-01-04 — — CN disclosed
CN-1091314-A The pharmaceutical composition that contains calcitonin SMITHKLINE BEECHAM FARMA (IT) 1994-08-31 — — CN disclosed
WO-1994008622-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A CALCITONIN SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1994-04-28 — — WO disclosed
EP-0327756-B1 Pharmaceutical compositions comprising a calcitonin and a glycyrrhizinate as absorption enhancer SMITHKLINE BEECHAM FARMA (IT) 1994-01-26 — — EP disclosed
EP-0526524-A1 PHARMACEUTICAL COMPOSITIONS. SMITH KLINE FRENCH LAB (GB) 1993-02-10 — — EP disclosed
US-5183802-A Mixed with nontoxic effective amount of adsorption enhancer-ammonium glycyrrhizinate and a carrier; used as nose sprays for treatment of osteoporosis ISF SOCIETA PER AZIONI (IT) 1993-02-02 — — US disclosed
WO-1991016041-A1 PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-10-31 — — WO disclosed
EP-0327756-A2 Pharmaceutical compositions comprising a calcitonin and a glycyrrhizinate as absorption enhancer Smithkline Beecham Farmaceutici S.p.A. (IT) 1989-08-16 — — EP disclosed
CN-1033568-A New calcitonin compositions and the method for making thereof of containing ISF SPA (IT) 1989-07-05 — — CN disclosed
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