SCHEMBL6981587

SCHEMBL6981587

Cc1cc(N2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.59
HPGD P15428 1/20 0.52
GBA1 P04062 1/20 0.51
RECQL P46063 1/20 0.50
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44

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
SCHEMBL6977687 0.89 GPR119 (0.57) GPR119HPGDGBA1RECQLKDM4E
SCHEMBL22873660 0.88 GPR119 (0.58) GPR119GBA1MEN1ALDH1A1KMT2A
SCHEMBL3485938 0.87 GPR119 (0.74) GPR119
SCHEMBL6978836 0.84 GPR119 (0.57) GPR119HPGDGBA1RECQLKMT2A
SCHEMBL6971773 0.77 GPR119 (0.56) GPR119HPGDRECQLLMNACKS1B
SCHEMBL14161464 0.76 GPR119 (0.72) GPR119
SCHEMBL14138859 0.76 GPR119 (0.72) GPR119
SCHEMBL3486596 0.76 GPR119 (0.72) GPR119LMNA
SCHEMBL3486810 0.76 GPR119 (0.72) GPR119
SCHEMBL18153279 0.76 GPR119 (0.56) GPR119GBA1MEN1ALDH1A1KMT2A

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