SCHEMBL8357220

SCHEMBL8357220

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.51
▸ ACE P12821 3/20 0.48
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ CMA1 P23946 11/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ CTRB1 P17538 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ CTRC Q99895 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL13330443 0.89 REN (0.55) RENACEF2PRSS1CMA1
SCHEMBL14440148 0.85 REN (0.52) RENACEF2PRSS1CMA1
SCHEMBL8265650 0.85 REN (0.59) RENACEF2PRSS1CMA1
SCHEMBL8265581 0.85 REN (0.59) RENACEF2PRSS1CMA1
SCHEMBL2475863 0.83 REN (0.55) RENACEF2PRSS1CMA1
SCHEMBL8255495 0.83 REN (0.55) RENACEF2PRSS1CMA1
SCHEMBL8261170 0.83 REN (0.55) RENACEF2PRSS1CMA1
SCHEMBL22698803 0.83 REN (0.55) RENACEF2PRSS1CMA1
SCHEMBL8165627 0.83 REN (0.55) RENACEF2PRSS1CMA1
SCHEMBL971479 0.83 REN (0.55) RENACEF2PRSS1CMA1

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-2004022072-A1 BORONIC ACID SALTS ANT THEIR USE IN THE TREATMENT OF THROMBOSIS TRIGEN LIMITED (GB) 2004-03-18 — — WO disclosed
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