SCHEMBL6971539

SCHEMBL6971539

CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.53
F13A1 P00488 7/20 0.53
TGM1 P22735 4/20 0.53
RORC P51449 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
GPR183 P32249 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL710366 0.89 TGM2 (0.64) TGM2F13A1TGM1GPR183PKM
SCHEMBL6977155 0.85 TGM2 (0.62) TGM2F13A1TGM1GPR183PKM
SCHEMBL14490210 0.84 TGM2 (0.59) TGM2F13A1TGM1GPR183PKM
SCHEMBL6977995 0.81 TGM2 (0.58) TGM2F13A1TGM1
SCHEMBL27527433 0.81 RORC (0.39) TGM2F13A1TGM1RORCGPR119
SCHEMBL6980123 0.80 LSS (0.60) TGM2F13A1TGM1PKM
SCHEMBL7086266 0.78 ALDH1A1 (0.59) TGM2F13A1TGM1PKM
SCHEMBL5736659 0.78 F10 (0.57) TGM2F13A1TGM1PKM
SCHEMBL18410584 0.78 TGM2 (0.65) TGM2F13A1TGM1PKM
SCHEMBL6974195 0.77 EPHX2 (0.53) TGM2F13A1TGM1GPR119

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