Sugi Predict

Sugi Predict / Compounds / SCHEMBL30974606

SCHEMBL30974606

SCHEMBL30974606

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 10/20 0.63
▸ NMBR P28336 1/20 0.59
▸ GRPR P30550 1/20 0.59
▸ CCKBR P32239 4/20 0.58
▸ GLP1R P43220 4/20 0.58
▸ KISS1R Q969F8 2/20 0.58
▸ CALCR P30988 1/20 0.57

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
SCHEMBL30432412 0.87 GLP1R (0.64) CCKBRGLP1RCALCR
SCHEMBL9073302 0.84 KISS1R (0.66) NMBRGRPRKISS1R
SCHEMBL31238594 0.84 KISS1R (0.62) NMBRGRPRKISS1R
SCHEMBL30432320 0.84 CCKBR (0.60) CXCL8NMBRGRPRCCKBRGLP1R
SCHEMBL29663694 0.84 CXCL8 (0.59) CXCL8NMBRGRPRKISS1R
SCHEMBL31182548 0.83 GLP1R (0.70) CCKBRGLP1RCALCR
SCHEMBL30572393 0.83 C5AR1 (0.61) NMBRGRPRCCKBRGLP1RKISS1R
SCHEMBL30432727 0.83 APLNR (0.63) GLP1R
SCHEMBL29416123 0.82 CXCR4 (0.60) CXCL8NMBRGRPRCCKBRGLP1R
SCHEMBL31544061 0.82 C5AR1 (0.73) NMBRGRPRGLP1R

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
CN-118356478-A Application of Fz7-21 in Alzheimer disease and brain aging 沈阳药科大学 2024-07-19 — — CN claimed
CN-118356478-A Application of Fz7-21 in Alzheimer disease and brain aging 沈阳药科大学 2024-07-19 — — CN disclosed
Send feedback