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Sugi Predict / Compounds / SCHEMBL30483985

SCHEMBL30483985

SCHEMBL30483985

CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@H](CCCNC(=N)N)C(=O)NC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.61
▸ VIPR2 P41587 6/20 0.59
▸ GLP1R P43220 10/20 0.56
▸ ECE1 P42892 1/20 0.56
▸ MUS81 Q96NY9 1/20 0.56
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54
▸ TFPI P10646 1/20 0.54
▸ CCKAR P32238 1/20 0.54

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
SCHEMBL30483989 0.97 VIPR1 (0.64) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30484004 0.96 VIPR1 (0.64) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30879455 0.95 VIPR1 (0.62) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30912050 0.95 VIPR1 (0.62) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483997 0.92 VIPR1 (0.62) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483996 0.92 VIPR1 (0.65) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066780 0.91 GLP1R (0.61) VIPR1GLP1R
SCHEMBL30483987 0.91 GLP1R (0.63) VIPR1GLP1RECE1MUS81
SCHEMBL30483992 0.91 VIPR1 (0.65) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066777 0.90 GLP1R (0.62) VIPR1VIPR2GLP1R

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
US-20240181015-A1 EFFECT OF GHRH ANTAGONISTS IN DIABETES AND OBESITY AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2024-06-06 — — US disclosed
US-11993640-B2 Treating inflammatory lung disease THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2024-05-28 — — US disclosed
US-20230126533-A1 Method of treating an inflammatory disorder UNIVERSITY OF MIAMI 2023-04-27 — — US disclosed
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