Sugi Predict

Sugi Predict / Compounds / SCHEMBL7320696

SCHEMBL7320696

SCHEMBL7320696

CC(C)[C@@H]([C]=O)N(CC(Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ REN P00797 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ CALCRL Q16602 1/20 0.36
▸ KISS1R Q969F8 2/20 0.35

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
SCHEMBL7326552 0.91 REN (0.34) BACE1KDM1ARENCTSDCALCRL
SCHEMBL10378305 0.88 REN (0.34) BACE1KDM1ARENCTSDCALCRL
SCHEMBL7329815 0.77 CTSC (0.45) BACE1
SCHEMBL7320115 0.76 REN (0.40) BACE1RENCTSD
SCHEMBL7331131 0.75 REN (0.35) BACE1KDM1ARENCTSDCALCRL
SCHEMBL10378306 0.73 ADORA3 (0.41) BACE1RENCALCRL
SCHEMBL7330281 0.71 BACE1 (0.47) BACE1CTSDKISS1R
SCHEMBL7330286 0.71 BACE1 (0.47) BACE1CTSDKISS1R
SCHEMBL10376835 0.69 OPRM1 (0.48) —
SCHEMBL31506754 0.69 BACE1 (0.47) BACE1RENCALCRL

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed