SCHEMBL7369599

SCHEMBL7369599

CC(C)(C)OC(=O)N[C@@]1(C(Cl)c2ccc3ccncc3c2)CCNC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
AKT1 P31749 6/20 0.33
NAMPT P43490 3/20 0.32
PPIA P62937 2/20 0.32
ROCK2 O75116 3/20 0.32
RAPGEF3 O95398 1/20 0.32
NR3C1 P04150 1/20 0.31
LATS1 O95835 2/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL7373241 1.00 HPGDS (0.34) HPGDSAKT1NAMPTPPIAROCK2
SCHEMBL7422899 0.89 HPGDS (0.34) HPGDSAKT1NAMPTPPIAROCK2
SCHEMBL7373193 0.85 AKT1 (0.37) HPGDSAKT1NAMPTROCK2LATS1
SCHEMBL7377427 0.79 HPGDS (0.31) HPGDS
SCHEMBL7376594 0.79 ROCK2 (0.42) AKT1PPIAROCK2
SCHEMBL7374405 0.78 AKT1 (0.35) HPGDSAKT1NAMPTROCK2LATS1
SCHEMBL7378233 0.73 AKT1 (0.36) AKT1ROCK2
SCHEMBL7369928 0.71 ROCK2 (0.41) AKT1PPIAROCK2
SCHEMBL7367861 0.70 ROCK2 (0.40) AKT1PPIAROCK2
SCHEMBL7383670 0.69 F10 (0.41) AKT1

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
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed