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SCHEMBL29742723

SCHEMBL29742723

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 5/20 0.49
▸ VIPR1 P32241 3/20 0.49
▸ GLP1R P43220 2/20 0.49
▸ GCGR P47871 1/20 0.49
▸ GIPR P48546 1/20 0.49
▸ TFPI P10646 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CCKBR P32239 1/20 0.46
▸ IL23R Q5VWK5 1/20 0.46

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
SCHEMBL29561758 0.89 VIPR2 (0.50) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL29453350 0.88 VIPR2 (0.54) VIPR2VIPR1TFPI
SCHEMBL30262128 0.86 VIPR2 (0.52) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL29453337 0.86 VIPR2 (0.54) VIPR2VIPR1TFPI
SCHEMBL30804671 0.86 PTH1R (0.48) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL30512750 0.85 GLP1R (0.46) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL29777785 0.85 VIPR2 (0.49) VIPR2VIPR1TFPIKEAP1
SCHEMBL29518464 0.85 VIPR2 (0.54) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL30420443 0.84 GLP1R (0.50) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL30262197 0.84 VIPR2 (0.54) VIPR2VIPR1TFPIRXFP1

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-20240033258-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADDICTION AND OTHER NEUROPSYCHIATRIC DISORDERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY & AGRICULTURAL & MECHANICAL COLLEGE (US) 2024-02-01 — — US disclosed
US-20220202791-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ADDICTION AND OTHER NEUROPSYCHIATRIC DISORDERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY & AGRICULTURAL & MECHANICAL COLLEGE 2022-06-30 — — US disclosed
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