SCHEMBL31066787

SCHEMBL31066787

CC[C@H](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](Cc1cccc(F)c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)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(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.63
▸ GLP1R P43220 13/20 0.61
▸ VIPR2 P41587 6/20 0.60

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
SCHEMBL31066789 0.99 GLP1R (0.61) VIPR1GLP1RVIPR2
SCHEMBL30484001 0.96 GLP1R (0.63) VIPR1GLP1RVIPR2
SCHEMBL30483995 0.96 GLP1R (0.60) VIPR1GLP1RVIPR2
SCHEMBL31066786 0.96 VIPR2 (0.62) VIPR1GLP1RVIPR2
SCHEMBL30483998 0.96 GLP1R (0.60) VIPR1GLP1RVIPR2
SCHEMBL31066777 0.94 GLP1R (0.62) VIPR1GLP1RVIPR2
SCHEMBL30483992 0.94 VIPR1 (0.65) VIPR1GLP1RVIPR2
SCHEMBL30879523 0.93 GLP1R (0.63) VIPR1GLP1RVIPR2
SCHEMBL31066781 0.93 VIPR1 (0.61) VIPR1GLP1RVIPR2
SCHEMBL30483987 0.92 GLP1R (0.63) VIPR1GLP1R

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 1 patent. 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
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