SCHEMBL6982738

SCHEMBL6982738

CCC1(C(=O)O)CCN(c2ccnc(C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SORD Q00796 5/20 0.41
LSS P48449 1/20 0.39
HRH4 Q9H3N8 6/20 0.38
HRH3 Q9Y5N1 5/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
OPRD1 P41143 2/20 0.36
KCNH2 Q12809 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL6971360 0.78 LSS (0.39) SORDLSSHRH4HRH3GPBAR1
SCHEMBL15416239 0.75 MEN1 (0.54)
SCHEMBL8310420 0.74 LSS (0.66) LSS
SCHEMBL29516687 0.74 SSTR5 (0.36) HCRTR1HCRTR2OPRD1
SCHEMBL6978270 0.73 LSS (0.48) LSSHCRTR1HCRTR2OPRD1KCNH2
SCHEMBL7661376 0.72 LSS (0.55) SORDLSSHRH3GPBAR1HCRTR1
SCHEMBL13622645 0.72 LSS (0.49) SORDLSSGPBAR1
SCHEMBL18390966 0.72 RET (0.39)
SCHEMBL14276896 0.72 MAP4K4 (0.51) SORDLSS
SCHEMBL24799135 0.71 SORD (0.48) SORDLSSHRH4HRH3GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed