SCHEMBL7349727

SCHEMBL7349727

C=CC[C@H]1CCC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
OPRM1 P35372 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7349739 1.00 CA12 (0.43) CA12CA9POLBNPSR1DDB1
SCHEMBL8485043 0.84 CA12 (0.41) CA12CA9POLBDDB1CRBN
SCHEMBL8485053 0.84 CA12 (0.41) CA12CA9POLBDDB1CRBN
SCHEMBL7347129 0.83 CA12 (0.40) CA12CA9DDB1CRBNALDH1A1
SCHEMBL7347125 0.83 CA12 (0.40) CA12CA9DDB1CRBNALDH1A1
SCHEMBL7347694 0.79 CA12 (0.43) CA12CA9POLBDDB1CRBN
SCHEMBL7347700 0.79 CA12 (0.43) CA12CA9POLBDDB1CRBN
SCHEMBL7340917 0.76 CA12 (0.39) CA12CA9DDB1CRBNALDH1A1
SCHEMBL7340906 0.76 CA12 (0.39) CA12CA9DDB1CRBNALDH1A1
SCHEMBL7349375 0.75 FKBP1A (0.32) TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856477-A HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE E. R. SQUIBB & SONS, INC. (US) 1999-01-05 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP 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
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed