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SCHEMBL7454936

SCHEMBL7454936

CSCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(N)CCCCN)C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 7/20 0.55
▸ GCGR P47871 3/20 0.55
▸ GIPR P48546 1/20 0.55
▸ VIPR2 P41587 5/20 0.54
▸ VIPR1 P32241 3/20 0.54
▸ SCTR P47872 1/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ CALCR P30988 1/20 0.51

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
SCHEMBL7454951 1.00 GLP1R (0.55) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL7447502 0.94 GLP1R (0.53) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL7447496 0.94 GLP1R (0.53) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL31182488 0.92 GLP1R (0.48) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL29426671 0.91 CRHR1 (0.59) GLP1RCRHR1CRHR2CALCR
SCHEMBL29934195 0.91 GLP1R (0.51) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL29742728 0.91 VIPR2 (0.57) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL30804674 0.90 BACE1 (0.58) GLP1RGCGRGIPRVIPR2VIPR1
SCHEMBL31139979 0.90 GLP1R (0.66) GLP1RGCGRGIPRSCTR
SCHEMBL31182706 0.89 VIPR2 (0.56) GLP1RVIPR2VIPR1KEAP1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102788-A4 PREVENTION AND TREATMENT OF VIRAL DISEASE UNIV MONTANA (US) 2002-08-28 — — EP disclosed
WO-2000008043-A9 PREVENTION AND TREATMENT OF VIRAL DISEASE UNIV MONTANA (US) 2001-12-13 — — WO disclosed
EP-1102788-A2 PREVENTION AND TREATMENT OF VIRAL DISEASE THE UNIVERSITY OF MONTANA (US) 2001-05-30 — — EP disclosed
WO-2000008043-A2 PREVENTION AND TREATMENT OF VIRAL DISEASE THE UNIVERSITY OF MONTANA (US) 2000-02-17 — — WO disclosed
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