SCHEMBL7375758

SCHEMBL7375758

CC(C)(C)OC(=O)N[C@@]1(Cc2ccc3ccc(Cl)nc3c2)CCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.43
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
HPGDS O60760 1/20 0.33
METAP2 P50579 1/20 0.33
DRD2 P14416 3/20 0.32
SCN9A Q15858 2/20 0.32
GRM2 Q14416 1/20 0.32
P2RX7 Q99572 1/20 0.31
BCHE P06276 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
CYP17A1 P05093 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL7375460 0.93 PPIA (0.44) PPIAACACBACACAHPGDSMETAP2
SCHEMBL7376570 0.84 PPIA (0.38) PPIAMETAP2GRM2P2RX7L3MBTL1
SCHEMBL7378924 0.82 ACACB (0.38) PPIAACACBACACADRD2SCN9A
SCHEMBL7374454 0.81 PPIA (0.38) PPIAGRM2L3MBTL1CCNCCDK8
SCHEMBL7374752 0.80 MAP4K4 (0.41) PPIAGRM2L3MBTL1
SCHEMBL7418004 0.77 PPIA (0.41) PPIA
SCHEMBL7369194 0.77 PPIA (0.39) PPIADRD2
SCHEMBL7424937 0.77 PPIA (0.38) PPIAGRM2CCNCCDK8
SCHEMBL7378701 0.72 ATR (0.37) DRD2P2RX7
SCHEMBL7428389 0.72 PPIA (0.35) PPIA

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 3 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-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