SCHEMBL6451998

SCHEMBL6451998

CCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PDE5A O76074 1/20 0.31
MEN1 O00255 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
SCHEMBL6452003 1.00 GCGR (0.36) GCGRGAAMAPTPDE5AMEN1
SCHEMBL6452045 0.99 GCGR (0.35) GCGRGAAMAPTPDE5AMEN1
SCHEMBL6462327 0.99 GCGR (0.35) GCGRGAAMAPTPDE5AMEN1
SCHEMBL6452044 0.99 GCGR (0.35) GCGRGAAMAPTPDE5AMEN1
SCHEMBL6462322 0.99 GCGR (0.35) GCGRGAAMAPTPDE5AMEN1
SCHEMBL6464380 0.97 GCGR (0.34) GCGRPDE5A
SCHEMBL6464374 0.97 GCGR (0.34) GCGRPDE5A
SCHEMBL6460511 0.92 CYP2C9 (0.32) GCGRMAPTMEN1KMT2A
SCHEMBL6460516 0.92 CYP2C9 (0.32) GCGRMAPTMEN1KMT2A
SCHEMBL6464249 0.90 PTGS1 (0.35) GCGRGAAMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed