SCHEMBL7436229

SCHEMBL7436229

COC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(C)cc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.47
EDNRA P25101 11/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
TACR1 P25103 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16907005 1.00 EDNRB (0.47) EDNRBEDNRAALDH1A1MAPTHDAC1
SCHEMBL7436226 1.00 EDNRB (0.47) EDNRBEDNRAALDH1A1MAPTHDAC1
SCHEMBL8724866 0.93 TACR1 (0.45) EDNRBEDNRAALDH1A1MAPTTACR1
SCHEMBL8724868 0.93 TACR1 (0.45) EDNRBEDNRAALDH1A1MAPTTACR1
SCHEMBL8726256 0.89 NPY5R (0.46) EDNRBEDNRA
SCHEMBL8726260 0.89 NPY5R (0.46) EDNRBEDNRA
SCHEMBL7451075 0.88 ALDH1A1 (0.50) EDNRBEDNRAALDH1A1MAPT
SCHEMBL16907004 0.88 ALDH1A1 (0.50) EDNRBEDNRAALDH1A1MAPT
SCHEMBL7451078 0.88 ALDH1A1 (0.50) EDNRBEDNRAALDH1A1MAPT
SCHEMBL8490486 0.87 SLC7A5 (0.40) EDNRBEDNRAHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US disclosed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP disclosed
US-5703106-A TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS JAPAT LTD. (CH) 1997-12-30 US disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO disclosed