SCHEMBL30912046

SCHEMBL30912046

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](CCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.50
▸ VIPR2 P41587 6/20 0.49
▸ VIPR1 P32241 4/20 0.49
▸ PTH1R Q03431 1/20 0.47

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
SCHEMBL30912049 0.96 GLP1R (0.53) GLP1RVIPR2VIPR1
SCHEMBL30912045 0.88 NPY4R (0.49) VIPR2VIPR1PTH1R
SCHEMBL29542217 0.87 NPY4R (0.46) VIPR2VIPR1PTH1R
SCHEMBL31612227 0.86 VIPR2 (0.52) GLP1RVIPR2VIPR1PTH1R
SCHEMBL30483991 0.86 GLP1R (0.54) GLP1RVIPR2VIPR1PTH1R
SCHEMBL30483999 0.85 GLP1R (0.55) GLP1RVIPR1
SCHEMBL30879453 0.85 NPY4R (0.48) VIPR2VIPR1
SCHEMBL29767364 0.85 GLP1R (0.50) GLP1RVIPR2VIPR1
SCHEMBL30912047 0.84 RXFP1 (0.49) VIPR2VIPR1
SCHEMBL29541008 0.84 VIPR2 (0.47) GLP1RVIPR2VIPR1PTH1R

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
US-20240287153-A1 Treating Inflammatory Lung Disease THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-08-29 — — 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
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