SCHEMBL9705287

SCHEMBL9705287

CC(NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(=O)C1(C(=O)O)CCCN1C(=O)C(N)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.39
REN P00797 1/20 0.37
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CTSL P07711 2/20 0.34
ITGB3 P05106 6/20 0.33
ITGA2B P08514 6/20 0.33
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL10422734 0.79 REN (0.32) BACE1RENADORA3ADORA2AADORA2B
SCHEMBL9705305 0.78 GRIN2B (0.34)
SCHEMBL5567101 0.76 CTSL (0.36) RENCTSLITGB3ITGA2BCTSB
SCHEMBL21724565 0.73 BACE1 (0.51) BACE1RENCTSLCTSBCTSS
SCHEMBL9980636 0.73 BACE1 (0.51) BACE1RENCTSLCTSBCTSS
SCHEMBL21724562 0.73 BACE1 (0.51) BACE1RENCTSLCTSBCTSS
SCHEMBL21724228 0.73 BACE1 (0.51) BACE1RENCTSLCTSBCTSS
Hydrochloric Acid SCHEMBL21724538 0.72 BACE1 (0.50) BACE1RENCTSLCTSBCTSS
Hydrochloric Acid SCHEMBL21724540 0.72 BACE1 (0.50) BACE1RENCTSLCTSBCTSS
SCHEMBL21737915 0.71 BACE1 (0.48) BACE1RENCTSLCTSBCTSS

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
EP-0209643-B1 PEPTIDE COMPOSITION USEFUL FOR THE MALARIA VACCINE MANUFACTURE AS WELL AS FOR THE PREPARATION OF DIAGNOSTIC KITS FOR THE DETECTION OF MALARIAL DISEASES ENIRICERCHE S.p.A. (IT) 1992-07-08 EP disclosed
US-4956449-A Forming polypeptides from tetrapeptides condensed and separated by chromatography ENIRICERCHE, S.P.A. (IT) 1990-09-11 US disclosed