SCHEMBL11773025

SCHEMBL11773025

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ PSMB1 P20618 1/20 0.47
▸ NMUR2 Q9GZQ4 9/20 0.47
▸ NMUR1 Q9HB89 8/20 0.47
▸ CTSK P43235 4/20 0.46
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSD P07339 1/20 0.44
▸ CTSE P14091 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ MMP3 P08254 1/20 0.44

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
SCHEMBL11773078 1.00 REN (0.51) RENADORA3ADORA2AADORA2BADORA1
SCHEMBL11774767 0.97 REN (0.52) RENCTSKCTSLCTSS
SCHEMBL11773127 0.96 NMUR2 (0.48) RENADORA3ADORA2AADORA2BADORA1
SCHEMBL11772364 0.94 NPY1R (0.47) RENNMUR2NMUR1
SCHEMBL11772396 0.94 NPY1R (0.47) RENNMUR2NMUR1
SCHEMBL11774056 0.91 F2 (0.48) RENNMUR2NMUR1CTSDCTSE
SCHEMBL11774028 0.91 F2 (0.48) RENNMUR2NMUR1CTSDCTSE
SCHEMBL11773038 0.89 REN (0.47) RENNMUR2NMUR1
SCHEMBL11771237 0.89 NMUR2 (0.49) RENNMUR2NMUR1
SCHEMBL11773146 0.88 NMUR2 (0.49) RENNMUR2NMUR1CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3960828-A Catalytic hydrogenolysis of protected sulfur containing peptides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1976-06-01 — — US disclosed
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