SCHEMBL6965442

SCHEMBL6965442

CCCCCCn1c(CCO)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.36
TP53 P04637 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6966194 0.96 GCGR (0.34) GCGRMEN1HPGDKMT2A
SCHEMBL6973789 0.95 GCGR (0.35) GCGRTP53TLR7
SCHEMBL6974433 0.91 GCGR (0.37) GCGRMEN1HPGDKMT2A
SCHEMBL6963837 0.91 MEN1 (0.37) GCGRMEN1HPGDKMT2A
SCHEMBL7082887 0.90 GCGR (0.33) GCGRTLR7MEN1HPGDKMT2A
SCHEMBL7079167 0.88 GCGR (0.34) GCGRTP53TLR7
SCHEMBL7080973 0.87 HSP90B1 (0.38) GCGRTLR7
SCHEMBL6974517 0.87 MEN1 (0.36) GCGRMEN1HPGDKMT2A
SCHEMBL6970796 0.87 GCGR (0.35) GCGRMEN1HPGDKMT2A
SCHEMBL6969009 0.87 ALDH1A1 (0.31) GCGR

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-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed