SCHEMBL7315973

SCHEMBL7315973

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CSC(C)=O)Cc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TACR1 P25103 1/20 0.55
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
LTA4H P09960 1/20 0.50
ERAP2 Q6P179 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
ANPEP P15144 1/20 0.49
IL1RN P18510 1/20 0.49

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
SCHEMBL7323825 0.93 LTA4H (0.58) KMT2AMEN1HCRTR1LTA4HERAP2
SCHEMBL7323829 0.93 LTA4H (0.58) KMT2AMEN1HCRTR1LTA4HERAP2
SCHEMBL7323834 0.93 LTA4H (0.58) KMT2AMEN1HCRTR1LTA4HERAP2
SCHEMBL6172199 0.84 LTA4H (0.69) LTA4H
SCHEMBL6172205 0.84 LTA4H (0.69) LTA4H
SCHEMBL11506794 0.83 KMT2A (0.55) MAPTKMT2AMEN1HCRTR1ERAP2
SCHEMBL6171219 0.82 MME (0.71) LTA4H
SCHEMBL16617625 0.80 TACR1 (0.75) TP53MAPTSMN1; SMN2TACR1
SCHEMBL6169855 0.80 LTA4H (0.59) KMT2AMEN1LTA4H
Trifluoroacetic Acid SCHEMBL11324709 0.80 MEN1 (0.50) TP53MAPTTACR1KMT2AMEN1

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-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed