SCHEMBL6180963

SCHEMBL6180963

O=C(C1CCN(c2ccncn2)CC1)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.60
RIPK1 Q13546 1/20 0.54
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
CHRM1 P11229 1/20 0.46
MAP4K4 O95819 1/20 0.43
SORD Q00796 1/20 0.41
AKT1 P31749 1/20 0.40
AVPR1A P37288 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL6969578 0.93 LSS (0.53) LSSRIPK1CHRNB2CHRNA3CHRNA4
SCHEMBL6181236 0.90 LSS (0.57) LSSRIPK1CHRNB2CHRNA3CHRNA4
SCHEMBL6179989 0.81 LSS (0.59) LSSCHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL6183767 0.80 LSS (0.58) LSSCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL6181710 0.79 RIPK1 (0.58) LSSRIPK1GPR119SORDAKT1
SCHEMBL6179335 0.79 LSS (0.54) LSSRIPK1GPR119CHRM1KDM4E
SCHEMBL194151 0.79 PLD1 (0.59) SORDKDM4E
SCHEMBL15863561 0.79 PLD1 (0.59) SORDKDM4E
SCHEMBL12639924 0.78 GPR119 (0.56) LSSRIPK1GPR119CHRM1SORD
Hydrochloric Acid SCHEMBL1990072 0.78 RIPK1 (0.57) LSSRIPK1GPR119SORDAKT1

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 9 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
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
CN-1228087-A Substituted pyrimidine derivatives and their pharmaceutical use ZENECA LTD (GB) 1999-09-08 CN disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed