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Sugi Predict / Compounds / Cystine

Cystine

Cystine

SCHEMBL27445596

CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N.N=C(N)NCCC[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CO)C(=O)O.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Cystine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.40
▸ CRHR1 P34998 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ CALCR P30988 3/20 0.37
▸ APLNR P35414 1/20 0.37
▸ GCGR P47871 3/20 0.36
▸ MC4R P32245 1/20 0.36
▸ CCKBR P32239 1/20 0.36

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
Cystine SCHEMBL27684299 0.96 GLP1R (0.43) GLP1RCRHR1CRHR2CALCRAPLNR
Tyrosine SCHEMBL27366389 0.94 GLP1R (0.41) GLP1RCRHR1CRHR2CALCRAPLNR
Tyrosine SCHEMBL27295274 0.94 GLP1R (0.39) GLP1RCRHR1CRHR2CALCRAPLNR
Tryptophan SCHEMBL27333689 0.94 GLP1R (0.46) GLP1RGCGRCCKBR
Cystine SCHEMBL27644422 0.94 GLP1R (0.41) GLP1RGCGRCCKBR
Tryptophan SCHEMBL28096759 0.93 GLP1R (0.46) GLP1RGCGRCCKBR
Tryptophan SCHEMBL27635744 0.93 GLP1R (0.46) GLP1RGCGRCCKBR
Tyrosine SCHEMBL27465555 0.93 TUBB4A (0.39) GLP1RAPLNRGCGRMC4R
Tyrosine SCHEMBL27498286 0.92 CALCR (0.40) GLP1RCRHR1CRHR2CALCRAPLNR
Tyrosine SCHEMBL9538046 0.92 CRHR1 (0.40) GLP1RCRHR1CRHR2CALCR

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-1119534-A Improved technology for extracting whole snail nutrient liquor WULIJI (CN) 1996-04-03 — — CN disclosed