SCHEMBL6971773

SCHEMBL6971773

CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3cc(Cl)ncn3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.56
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MAP4K4 O95819 1/20 0.44
STS P08842 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6982726 0.97 GPR119 (0.55) GPR119HPGDRECQLFNTAFNTB
SCHEMBL622957 0.89 GPR119 (0.56) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL6978836 0.88 GPR119 (0.57) GPR119HPGDRECQLFNTAFNTB
SCHEMBL3486712 0.88 GPR119 (0.71) GPR119MAP4K4
SCHEMBL6981254 0.85 GPR119 (0.53) GPR119MAP4K4CKS1BSKP1SKP2
SCHEMBL29927438 0.84 GPR119 (0.53) GPR119MAP4K4
SCHEMBL6977687 0.80 GPR119 (0.57) GPR119HPGDRECQLFNTAFNTB
Hydrochloric Acid SCHEMBL6981399 0.78 CHRNB2 (0.48) MAP4K4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6181184 0.78 GPR119 (0.76) GPR119HPGDRECQLFNTAFNTB
SCHEMBL31614473 0.78 GPR119 (0.46) GPR119MAP4K4

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