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SCHEMBL30483997

SCHEMBL30483997

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](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)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@@H](C)CC)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)NC

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 6/20 0.62
▸ VIPR2 P41587 8/20 0.59
▸ GLP1R P43220 5/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ MUS81 Q96NY9 1/20 0.55
▸ TFPI P10646 1/20 0.55
▸ CCKBR P32239 1/20 0.53
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53

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
SCHEMBL30484002 0.97 VIPR1 (0.64) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066784 0.96 VIPR1 (0.65) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066792 0.95 VIPR1 (0.65) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL31066778 0.93 VIPR2 (0.65) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483988 0.93 VIPR1 (0.64) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483985 0.92 VIPR1 (0.61) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483993 0.92 VIPR1 (0.62) VIPR1VIPR2GLP1R
SCHEMBL30912050 0.91 VIPR1 (0.62) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30879455 0.91 VIPR1 (0.62) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL30483983 0.91 VIPR1 (0.67) VIPR1VIPR2GLP1RECE1MUS81

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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