SCHEMBL7376594

SCHEMBL7376594

O=C(N[C@@]1(C(Cl)c2ccc3cnccc3c2)CCNC1=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.42
IMPDH2 P12268 1/20 0.39
GDA Q9Y2T3 1/20 0.37
POLB P06746 1/20 0.37
AKT1 P31749 3/20 0.37
PPIA P62937 1/20 0.36
CDK2 P24941 1/20 0.36
PRMT3 O60678 1/20 0.36

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
SCHEMBL7367861 0.86 ROCK2 (0.40) ROCK2IMPDH2POLBAKT1PPIA
SCHEMBL7369928 0.86 ROCK2 (0.41) ROCK2POLBAKT1PPIA
SCHEMBL7373241 0.79 HPGDS (0.34) ROCK2AKT1PPIA
SCHEMBL7369599 0.79 HPGDS (0.34) ROCK2AKT1PPIA
SCHEMBL12058848 0.69 POLB (0.65) ROCK2IMPDH2POLBPRMT3
SCHEMBL29679181 0.68 CTSL (0.58) ROCK2
SCHEMBL29679126 0.68 CTSL (0.58) ROCK2
SCHEMBL7422899 0.68 HPGDS (0.34) ROCK2AKT1PPIA
SCHEMBL7373193 0.68 AKT1 (0.37) ROCK2AKT1
SCHEMBL7378233 0.67 AKT1 (0.36) ROCK2AKT1CDK2

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