SCHEMBL6969578

SCHEMBL6969578

O=C(C1CCN(c2ccncn2)C1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.53
RIPK1 Q13546 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
CHRM1 P11229 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYP2D6 P10635 1/20 0.41
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
GRM1 Q13255 1/20 0.41
DGAT2 Q96PD7 5/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6180963 0.93 LSS (0.60) LSSRIPK1GPR119CHRM1CHRNB2
SCHEMBL6181236 0.82 LSS (0.57) LSSRIPK1GPR119CHRM1CHRNB2
SCHEMBL7165667 0.80 GPR119 (0.71) LSSRIPK1GPR119CHRM1
SCHEMBL8446403 0.78 LSS (0.51) LSSGPBAR1DGAT2
SCHEMBL6179989 0.77 LSS (0.59) LSSCHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL6183767 0.76 LSS (0.58) LSSCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL6181710 0.74 RIPK1 (0.58) LSSRIPK1GPR119GPBAR1CYP2D6
SCHEMBL194151 0.73 PLD1 (0.59) CYP2D6KDM4E
SCHEMBL15863561 0.73 PLD1 (0.59) CYP2D6KDM4E
SCHEMBL12639924 0.73 GPR119 (0.56) LSSRIPK1GPR119CHRM1GPBAR1

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-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
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