SCHEMBL6949494

SCHEMBL6949494

O=C(N1CCC(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.77
LMNA P02545 3/20 0.62
POLB P06746 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.59
CNR1 P21554 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
USP5 P45974 2/20 0.51
HSD11B1 P28845 1/20 0.50
F10 P00742 1/20 0.49
LSS P48449 1/20 0.49
GRM5 P41594 1/20 0.48

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
SCHEMBL7549029 0.82 L3MBTL1 (0.67) TP53LMNAPOLBL3MBTL1CNR1
SCHEMBL1946614 0.79 L3MBTL1 (0.75) TP53LMNAPOLBL3MBTL1CNR1
Hydrochloric Acid SCHEMBL6196960 0.76 F10 (0.75) TP53LMNACNR1NPSR1F10
Hydrochloric Acid SCHEMBL6196964 0.76 F10 (0.75) TP53LMNACNR1NPSR1F10
SCHEMBL6945244 0.75 LSS (0.70) TP53USP5LSS
SCHEMBL20772177 0.75 TP53 (0.75) TP53LMNANPSR1USP5HSD11B1
SCHEMBL5915276 0.74 TP53 (0.74) TP53LMNAL3MBTL1USP5
SCHEMBL29505151 0.74 TP53 (0.69) TP53LMNAL3MBTL1CNR1NPSR1
SCHEMBL14456956 0.73 CNR1 (0.69) LMNAPOLBCNR1NPSR1F10
SCHEMBL4562521 0.73 KDM4E (0.45) TP53LMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966462-B1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ASTRAZENECA AB (SE) 2003-06-11 EP disclosed
US-6391880-B1 ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 2002-05-21 US disclosed
EP-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed