SCHEMBL6457033

SCHEMBL6457033

CCCCCCC1CCC2CC(c3ccc(-c4cccc(F)c4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
PAX8 Q06710 2/20 0.36
CNR2 P34972 1/20 0.36
GRM2 Q14416 1/20 0.35
ICMT O60725 3/20 0.35
TAAR1 Q96RJ0 2/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ESR2 Q92731 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL6464502 1.00 MGLL (0.38) MGLLPAX8CNR2GRM2ICMT
SCHEMBL6464505 1.00 MGLL (0.38) MGLLPAX8CNR2GRM2ICMT
SCHEMBL6457028 1.00 MGLL (0.38) MGLLPAX8CNR2GRM2ICMT
SCHEMBL6455918 0.99 PAX8 (0.36) MGLLPAX8CNR2GRM2ICMT
SCHEMBL6455922 0.99 PAX8 (0.36) MGLLPAX8CNR2GRM2ICMT
SCHEMBL6456548 0.96 PAX8 (0.37) MGLLPAX8CNR2GRM2TAAR1
SCHEMBL6456544 0.96 PAX8 (0.37) MGLLPAX8CNR2GRM2TAAR1
SCHEMBL6452617 0.91 PAX8 (0.38) PAX8GRM2TAAR1KDM1AMAOA
SCHEMBL6452615 0.91 PAX8 (0.38) PAX8GRM2TAAR1KDM1AMAOA
SCHEMBL6460089 0.90 GAA (0.35) CNR2GAAMAPT

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