SCHEMBL5889023

SCHEMBL5889023

C[C@@]1(C(=O)OC(=O)CCS)CCCN1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL7339039 0.79
SCHEMBL10039814 0.74 NPSR1 (0.41)
SCHEMBL2972762 0.74 NPSR1 (0.41)
SCHEMBL359078 0.74 NPSR1 (0.41)
SCHEMBL9056776 0.73 ALDH1A1 (0.40)
Hydrochloric Acid SCHEMBL15967648 0.72 NPSR1 (0.39)
Hydrochloric Acid SCHEMBL1357772 0.72 NPSR1 (0.39)
Hydrochloric Acid SCHEMBL15967647 0.72 NPSR1 (0.39)
SCHEMBL10957286 0.71 OPRM1 (0.40)
SCHEMBL28426667 0.71 OPRM1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125702-B2 Process for the preparation of angiotensis converting enzyme (ACE) inhibitors and its use COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-24 US disclosed
US-20060073543-A1 Process for the preparation of angiotensis converting enzyme (ACE) inhibitors and its use COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-04-06 US disclosed
WO-2004085664-A2 PROCESS FOR THE PREPARATION OF ANGIOTENSIN CONVERTING ENZYME (ACE) INHIBITORS AND ITS USE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040191857-A1 Process for the preparation of angiotensis converting enzyme (ACE) inhibitors and its use COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-30 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 US disclosed