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Sugi Predict / Compounds / SCHEMBL30140921

SCHEMBL30140921

SCHEMBL30140921

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.48
▸ VIPR2 P41587 5/20 0.47
▸ VIPR1 P32241 3/20 0.47
▸ PTH1R Q03431 2/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ GLP1R P43220 1/20 0.46
▸ GCGR P47871 1/20 0.46
▸ GIPR P48546 1/20 0.46
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ RAMP3 O60896 1/20 0.44
▸ CALCR P30988 1/20 0.44

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
SCHEMBL30432907 0.90 VIPR1 (0.53) VIPR2VIPR1PTH1RGRIN2DGRIN3B
SCHEMBL30662321 0.89 TFPI (0.50) TFPIVIPR2VIPR1PTH1RGLP1R
SCHEMBL31422680 0.89 KISS1R (0.47) TFPIVIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30262128 0.88 VIPR2 (0.52) TFPIVIPR2VIPR1KEAP1GLP1R
SCHEMBL29777785 0.88 VIPR2 (0.49) TFPIVIPR2VIPR1KEAP1
SCHEMBL30974297 0.88 TFPI (0.62) TFPIVIPR2VIPR1GLP1RGCGR
SCHEMBL30262186 0.87 VIPR2 (0.54) VIPR2VIPR1PTH1RGRIN2DGRIN3B
SCHEMBL29518464 0.86 VIPR2 (0.54) TFPIVIPR2VIPR1GLP1RGCGR
SCHEMBL16508045 0.86 TFPI (0.54) TFPIKEAP1
SCHEMBL31097750 0.86 NPY4R (0.52) VIPR2VIPR1KEAP1

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
US-20230050804-A1 USE OF CCDC157 GENE AND MUTANT GENES THEREOF AS MOLECULAR MARKERS IN DIAGNOSIS OF MALE INFERTILITY DISEASES ZHEJIANG UNIVERSITY (CN) 2023-02-16 — — US disclosed
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