SCHEMBL8837733

SCHEMBL8837733

CC1(C)CCCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.59
MME P08473 3/20 0.35

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
SCHEMBL8431892 1.00 ACE (0.59) ACEMME
SCHEMBL7713390 0.79 ACE (0.57) ACEMME
Gemopatrilat SCHEMBL1973289 0.75 ACE (1.00) ACEMME
SCHEMBL7540477 0.72 ACE (0.73) ACEMME
SCHEMBL7540483 0.72 ACE (0.73) ACEMME
SCHEMBL3281359 0.71 ACE (0.48) ACE
SCHEMBL7543963 0.71 ACE (0.48) ACE
SCHEMBL8837762 0.70 TRPA1 (0.33) ACE
SCHEMBL8428728 0.70 TRPA1 (0.33) ACE
SCHEMBL14170611 0.69 ACE (0.47) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed