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Sugi Predict / Compounds / SCHEMBL8937114

SCHEMBL8937114

SCHEMBL8937114

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.58
▸ NPY4R P50391 8/20 0.58
▸ NPY5R Q15761 8/20 0.58
▸ NPY1R P25929 6/20 0.58
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ RAMP3 O60896 6/20 0.54
▸ CALCR P30988 6/20 0.54
▸ KEAP1 Q14145 1/20 0.54
▸ CXCR4 P61073 1/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM1B Q8NB78 1/20 0.53

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
SCHEMBL8937058 1.00 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607453 0.93 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30472841 0.92 EP300 (0.62) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30567767 0.91 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30536321 0.91 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30567708 0.91 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31474426 0.90 RAMP3 (0.61) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30906350 0.89 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30429252 0.89 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30680484 0.89 EP300 (0.52) NPY2RNPY4RNPY5RNPY1REP300

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 — — EP claimed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 — — EP claimed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 — — WO claimed
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