SCHEMBL9068536

SCHEMBL9068536

CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.72
▸ ECE1 P42892 12/20 0.67

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
SCHEMBL30051310 0.90 ACE (0.68) ACEECE1
SCHEMBL11232284 0.89 ACE (0.88) ACEECE1
SCHEMBL11232292 0.89 ACE (0.88) ACEECE1
SCHEMBL11495529 0.88 ACE (0.71) ACEECE1
SCHEMBL11495534 0.88 ACE (0.71) ACEECE1
SCHEMBL25266213 0.87 ACE (0.73) ACEECE1
SCHEMBL25196442 0.87 ACE (0.73) ACEECE1
SCHEMBL30490366 0.87 ACE (0.71) ACEECE1
SCHEMBL8015180 0.87 ECE1 (0.74) ACEECE1
SCHEMBL30052301 0.86 ACE (0.69) ACEECE1

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
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 — — US disclosed
US-4684660-A Mercaptoacyldepeptides E. R. SQUIBB & SONS, INC. (US) 1987-08-04 — — US disclosed
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