SCHEMBL7401658

SCHEMBL7401658

O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 1.00
F10 P00742 1/20 0.68
CHRM1 P11229 5/20 0.57
CNR1 P21554 1/20 0.55
MMP2 P08253 1/20 0.55
MMP13 P45452 1/20 0.55
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53

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
SCHEMBL1387276 0.97 LSS (0.94) LSSF10CHRM1CNR1MMP2
SCHEMBL1387358 0.90 LSS (0.81) LSSF10CHRM1MAPK1
SCHEMBL6180061 0.89 LSS (0.80) LSSF10CHRM1CNR1SMN1; SMN2
SCHEMBL7660042 0.87 LSS (0.77) LSSF10CNR1MAPTSMN1; SMN2
SCHEMBL1387298 0.87 LSS (0.88) LSSF10CHRM1CNR1SMN1; SMN2
SCHEMBL6786388 0.86 LSS (0.76) LSSF10CHRM1MAPTMAPK1
SCHEMBL6181000 0.86 LSS (0.76) LSSF10CHRM1CNR1MMP2
SCHEMBL1387325 0.86 F10 (0.77) LSSF10CHRM1CNR1MAPT
SCHEMBL6793676 0.86 LSS (0.74) LSSF10CHRM1MAPTMAPK1
SCHEMBL6791070 0.85 LSS (0.77) LSSF10CHRM1CNR1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP claimed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO claimed
US-6440972-B1 Heterocyclic compounds useful as oxido-squalene cyclase inhibitors ZENECA LIMITED (GB) 2002-08-27 US disclosed
US-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed
EP-1000057-A1 PYRIDYL- AND PYRIMIDYL-HETEROCYCLIC COMPOUNDS INHIBITING OXIDO SQUALENE-CYCLASE AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
EP-0966460-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1999006395-A1 PYRIDYL- AND PYRIMIDYL-HETEROCYCLIC COMPOUNDS INHIBITING OXIDO SQUALENE-CYCLASE ZENECA LIMITED (GB) 1999-02-11 WO disclosed
WO-1998035956-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (US) 1998-08-20 WO disclosed