Sugi Predict

Sugi Predict / Compounds / SCHEMBL9540813

SCHEMBL9540813

SCHEMBL9540813

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N(C(C)=O)C1CC2CCC1C2)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 18/20 0.64
▸ NTSR2 O95665 15/20 0.64
▸ SORT1 Q99523 13/20 0.64

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
SCHEMBL29582705 0.84 NTSR2 (0.86) NTSR1NTSR2SORT1
SCHEMBL29533517 0.83 NTSR1 (0.82) NTSR1NTSR2SORT1
SCHEMBL30880437 0.83 NTSR1 (0.82) NTSR1NTSR2SORT1
SCHEMBL9543572 0.82 NTSR1 (0.73) NTSR1NTSR2SORT1
SCHEMBL9540762 0.82 NTSR1 (0.69) NTSR1NTSR2SORT1
SCHEMBL1421754 0.82 NTSR1 (0.74) NTSR1NTSR2SORT1
SCHEMBL1421733 0.82 NTSR1 (0.74) NTSR1NTSR2SORT1
SCHEMBL29583282 0.82 NTSR1 (0.73) NTSR1NTSR2SORT1
SCHEMBL29702258 0.82 NTSR1 (0.73) NTSR1NTSR2SORT1
Hydrochloric Acid SCHEMBL9540881 0.81 NTSR1 (0.71) NTSR1NTSR2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 — — WO claimed
WO-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 — — WO disclosed