SCHEMBL6990956

SCHEMBL6990956

O=CCC(CNC(=O)CCc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ASAH1 Q13510 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL6987259 0.89 POLB (0.43) POLBHPGDMEN1RAB9AKMT2A
SCHEMBL6990953 0.79 ALDH1A1 (0.48) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL10647708 0.74 MALT1 (0.47) GAA
SCHEMBL3116804 0.72 ALDH1A1 (0.49) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL868395 0.70 MAPT (0.61) HPGDMEN1RAB9AKMT2AALDH1A1
SCHEMBL4334227 0.69 HPGD (0.58) HPGDMEN1RAB9AKMT2AALDH1A1
SCHEMBL74639 0.69 TDP1 (0.40) POLBHPGDALDH1A1GAAKDM4E
SCHEMBL83755 0.69 TDP1 (0.40) POLBHPGDALDH1A1GAAKDM4E
SCHEMBL74640 0.69 TDP1 (0.40) POLBHPGDALDH1A1GAAKDM4E
SCHEMBL22556257 0.69 ALDH1A1 (0.47) POLBHPGDMEN1KMT2AALDH1A1

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
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
EP-0745081-B1 INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 2001-11-21 EP disclosed
EP-0656001-B1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMA INC (US) 1999-09-15 EP disclosed
US-5604221-A Indane-2-mercaptoacetylamide disulfide derivatives useful as inhibitors of enkephalinase MERRELL PHARMACEUTICALS INC. (US) 1997-02-18 US disclosed
US-5491142-A 2-substituted indane-2-mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5491141-A ENZYME INHIBITORS, HYPERTENSIVE AGENTS; TREATING DIURETIC, CONGESTIVE HEART FAILURE, ALDOSTERONISM, RENAL DISEASES, GLAUCOMA MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5420271-A Analgesics, cardiovascular disorders, diuretics or hypoaldosteronemic agents MERRELL DOW PHARMACEUTICALS, INC. (US) 1995-05-30 US disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 US disclosed