Sugi Predict

Sugi Predict / Compounds / SCHEMBL30887554

SCHEMBL30887554

SCHEMBL30887554

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.66
▸ GLP1R P43220 17/20 0.64
▸ PTH1R Q03431 1/20 0.60
▸ IL23R Q5VWK5 1/20 0.59
▸ ECE1 P42892 1/20 0.59
▸ MUS81 Q96NY9 1/20 0.59

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
SCHEMBL29548460 0.90 GLP1R (0.71) GLP1RECE1MUS81
SCHEMBL30691823 0.90 GLP1R (0.71) GLP1RECE1MUS81
SCHEMBL30176413 0.90 GLP1R (0.73) GLP1RECE1MUS81
SCHEMBL31072729 0.88 GLP1R (0.81) GLP1RECE1MUS81
SCHEMBL30451312 0.88 C5AR1 (0.70) C5AR1GLP1RIL23R
SCHEMBL31664372 0.88 GLP1R (0.69) GLP1RECE1MUS81
SCHEMBL31688323 0.87 GLP1R (0.66) GLP1R
SCHEMBL31731011 0.87 GLP1R (0.83) GLP1RECE1MUS81
SCHEMBL27827907 0.87 GLP1R (0.83) GLP1RECE1MUS81
SCHEMBL31073556 0.87 GLP1R (0.61) C5AR1GLP1R

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
CN-117924471-A Antibodies or antigen binding fragments that specifically bind E2 proteins and uses thereof 杭州傲锐生物医药科技有限公司 2024-04-26 — — CN disclosed
Send feedback