SCHEMBL6999724

SCHEMBL6999724

C=CCCC(C(=O)NCCCc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
ASAH1 Q13510 1/20 0.49
KMT2A Q03164 3/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CNR1 P21554 1/20 0.47
MMP8 P22894 3/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4A O75164 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL6988590 0.90 ALDH1A1 (0.50) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL6999720 0.83 ALDH1A1 (0.60) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL12295580 0.81 KMT2A (0.50) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL6988577 0.75 ALDH1A1 (0.61) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL7280949 0.73 ALDH1A1 (0.57) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL7280980 0.73 ALDH1A1 (0.57) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL7280961 0.73 ALDH1A1 (0.57) ALDH1A1HPGDDUSP3PTPN5PTPN11
SCHEMBL21149877 0.73 TSHR (0.57) ALDH1A1HPGDKMT2ACYP2D6MMP8
SCHEMBL22570463 0.73 TSHR (0.57) ALDH1A1HPGDKMT2ACYP2D6MMP8
SCHEMBL7272829 0.72 ALDH1A1 (0.55) ALDH1A1HPGDDUSP3PTPN5PTPN11

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 14 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
EP-0745081-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1996-12-04 EP 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
WO-1995021840-A1 NOVEL INDANE-2-MERCAPTOACETYLAMIDE DISULFIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-08-17 WO disclosed
EP-0656001-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL PHARMACEUTICALS INC. (US) 1995-06-07 EP 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-1994004531-A1 NOVEL 2-SUBSTITUTED INDANE-2-MERCAPTOACETYLAMIDE TRICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-03 WO 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