SCHEMBL8265581

SCHEMBL8265581

COCCC[C@H](O)NC(=O)C1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.59
▸ ACE P12821 9/20 0.54
▸ ACE2 Q9BYF1 6/20 0.51
▸ CTRB1 P17538 1/20 0.50
▸ F2 P00734 2/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ DPP8 Q6V1X1 1/20 0.49
▸ CMA1 P23946 1/20 0.47
▸ PREP P48147 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL8265650 1.00 REN (0.59) RENACEACE2CTRB1F2
SCHEMBL13533689 0.92 REN (0.58) RENACEACE2CTRB1F2
SCHEMBL13533690 0.92 REN (0.58) RENACEACE2CTRB1F2
SCHEMBL2475863 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8261170 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL13330443 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8165627 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8255495 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL22698803 0.90 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL971479 0.90 REN (0.55) RENACEACE2CTRB1F2

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
WO-2006059083-A1 NEUTRALISING AGENTS FOR BORONIC ACID DRUGS TRIGEN LIMITED (GB) 2006-06-08 — — WO disclosed
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