Sugi Predict

Sugi Predict / Compounds / SCHEMBL9295491

SCHEMBL9295491

SCHEMBL9295491

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 13/20 0.59
▸ NTSR2 O95665 11/20 0.59
▸ SORT1 Q99523 9/20 0.59
▸ OPRD1 P41143 3/20 0.55

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
SCHEMBL9295481 1.00 NTSR1 (0.59) NTSR1NTSR2SORT1OPRD1
SCHEMBL31519870 0.88 OPRD1 (0.66) NTSR1NTSR2SORT1OPRD1
SCHEMBL29457313 0.87 SLC6A2 (0.69) NTSR1NTSR2SORT1OPRD1
SCHEMBL30906006 0.85 NTSR1 (0.57) NTSR1NTSR2SORT1
SCHEMBL30581294 0.85 MAPK8 (0.61) NTSR1NTSR2SORT1
SCHEMBL30581301 0.85 MAPK8 (0.61) NTSR1NTSR2SORT1
SCHEMBL30581327 0.85 MAPK8 (0.58) NTSR1NTSR2SORT1
SCHEMBL1421525 0.85 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1
SCHEMBL1421598 0.85 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1
SCHEMBL1421513 0.85 NTSR1 (0.72) NTSR1NTSR2SORT1OPRD1

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-0567578-A4 — — 1994-04-27 — — EP claimed
EP-0567578-A1 LAMININ A CHAIN DOMAIN VI POLYPEPTIDES THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1993-11-03 — — EP claimed
WO-1992012727-A1 LAMININ A CHAIN DOMAIN VI POLYPEPTIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-08-06 — — WO claimed
Send feedback