SCHEMBL6181646

SCHEMBL6181646

O=C(C1CCN(c2ccncc2)CC1)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.64
EIF2AK3 Q9NZJ5 1/20 0.61
AKR1C1 Q04828 1/20 0.58
F10 P00742 2/20 0.56
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
CHRM1 P11229 4/20 0.53
LSS P48449 2/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TPSAB1 Q15661 1/20 0.49
MCOLN3 Q8TDD5 2/20 0.47

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
SCHEMBL5244233 0.88 CHRM1 (0.67) AKR1C3EIF2AK3F10LMNAALDH1A1
SCHEMBL6798769 0.82 F10 (0.76) F10LMNACHRM1LSSATM
SCHEMBL1387210 0.81 F10 (0.82) F10LMNACHRM1LSSATM
SCHEMBL6180931 0.81 F10 (0.61) AKR1C3EIF2AK3AKR1C1F10LMNA
SCHEMBL15102072 0.80 CHRM1 (0.79) F10LMNACHRM1LSSATM
SCHEMBL6791566 0.80 F10 (0.60) AKR1C3EIF2AK3AKR1C1F10LMNA
SCHEMBL1387222 0.79 TSHR (0.76) F10LMNAALDH1A1MAPTCHRM1
SCHEMBL6787471 0.79 F10 (0.59) AKR1C3EIF2AK3AKR1C1F10LMNA
SCHEMBL5246679 0.79 AKR1C3 (1.00) AKR1C3EIF2AK3AKR1C1LMNAKDM4E
SCHEMBL1387218 0.79 F10 (0.61) AKR1C3EIF2AK3AKR1C1F10LMNA

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-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed