Sugi Predict

Sugi Predict / Compounds / SCHEMBL29742728

SCHEMBL29742728

SCHEMBL29742728

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](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)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](C)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](CCC(N)=O)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(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.57
▸ VIPR1 P32241 4/20 0.57
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ GLP1R P43220 2/20 0.54
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54
▸ SCTR P47872 1/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ PTH1R Q03431 1/20 0.52

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
SCHEMBL29528965 0.92 VIPR2 (0.62) VIPR2VIPR1CRHR1CRHR2GLP1R
SCHEMBL8427711 0.92 KEAP1 (0.56) VIPR2VIPR1GLP1RGCGRGIPR
SCHEMBL31603936 0.92 GLP1R (0.62) CRHR1CRHR2GLP1RGCGRGIPR
SCHEMBL30963661 0.92 CRHR1 (0.62) VIPR2VIPR1CRHR1CRHR2GLP1R
SCHEMBL7454951 0.91 GLP1R (0.55) VIPR2VIPR1CRHR1CRHR2GLP1R
SCHEMBL7454936 0.91 GLP1R (0.55) VIPR2VIPR1CRHR1CRHR2GLP1R
SCHEMBL30432192 0.90 VIPR1 (0.54) VIPR2VIPR1CRHR1CRHR2GLP1R
SCHEMBL30576988 0.89 GLP1R (0.70) GLP1RGCGRGIPRKEAP1PTH1R
SCHEMBL30883206 0.89 TFPI (0.61) VIPR2VIPR1CRHR1CRHR2GLP1R
SCHEMBL31139979 0.88 GLP1R (0.66) GLP1RGCGRGIPRSCTR

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
Send feedback