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SCHEMBL268329

SCHEMBL268329

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=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)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.73
▸ NPY4R P50391 8/20 0.73
▸ NPY5R Q15761 8/20 0.73
▸ NPY1R P25929 6/20 0.73
▸ TFPI P10646 4/20 0.71
▸ CALCR P30988 5/20 0.71
▸ RAMP3 O60896 3/20 0.71
▸ CXCR4 P61073 2/20 0.68

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
SCHEMBL29388398 0.92 NPY2R (0.75) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30763295 0.91 CALCR (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL15669203 0.90 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30763301 0.89 CALCR (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL268375 0.88 CALCR (0.85) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL15669269 0.88 NPY2R (0.76) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL4331434 0.88 NPY2R (0.75) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29706208 0.87 CALCR (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30737872 0.87 CXCR4 (0.77) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29783623 0.87 CALCR (0.75) TFPICALCRRAMP3

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 16 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-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
EP-0607229-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCITONIN, A GLYCYRRHIZINATE AS ABSORPTION ENHANCER AND BENZYL Smithkline Beecham Farmaceutici S.p.A. (IT) 1994-07-27 — — EP 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
WO-1993006854-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCITONIN, A GLYCYRRHIZINATE AS ABSORPTION ENHANCER AND BENZYL SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1993-04-15 — — WO 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