SCHEMBL6978836

SCHEMBL6978836

Cc1cc(N2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.57
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.50
MAP4K4 O95819 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CHRM4 P08173 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 1/20 0.43

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
SCHEMBL6971773 0.88 GPR119 (0.56) GPR119HPGDRECQLMAP4K4CKS1B
SCHEMBL3486495 0.87 GPR119 (0.72) GPR119MAP4K4
SCHEMBL6982726 0.85 GPR119 (0.55) GPR119HPGDRECQLMAP4K4CKS1B
SCHEMBL6981587 0.84 GPR119 (0.59) GPR119HPGDRECQLCKS1BSKP1
SCHEMBL6977687 0.83 GPR119 (0.57) GPR119HPGDRECQLCKS1BSKP1
Hydrochloric Acid SCHEMBL6978099 0.79 CHRNB2 (0.48) MAP4K4CHRM4KMT2AGBA1
SCHEMBL6181184 0.79 GPR119 (0.76) GPR119HPGDRECQLMAP4K4CKS1B
Hydrochloric Acid SCHEMBL6983696 0.78 GBA1 (0.50) CKS1BSKP1SKP2CHRM4KMT2A
SCHEMBL29132224 0.78 GPR119 (0.53) GPR119HPGDRECQLCKS1BSKP1
SCHEMBL7165667 0.76 GPR119 (0.71) GPR119HPGDRECQLCKS1BSKP1

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