SCHEMBL6455922

SCHEMBL6455922

CCCCCC1CCC2CC(c3ccc(-c4cccc(F)c4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.36
MGLL Q99685 1/20 0.36
CNR2 P34972 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ESR2 Q92731 1/20 0.34
GRM2 Q14416 1/20 0.34
TLR8 Q9NR97 1/20 0.33
ICMT O60725 1/20 0.33
GCGR P47871 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 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
SCHEMBL6455918 1.00 PAX8 (0.36) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6457033 0.99 MGLL (0.38) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6464505 0.99 MGLL (0.38) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6457028 0.99 MGLL (0.38) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6464502 0.99 MGLL (0.38) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6456548 0.97 PAX8 (0.37) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6456544 0.97 PAX8 (0.37) PAX8MGLLCNR2TAAR1KDM1A
SCHEMBL6452617 0.92 PAX8 (0.38) PAX8TAAR1KDM1AMAOAMAOB
SCHEMBL6452615 0.92 PAX8 (0.38) PAX8TAAR1KDM1AMAOAMAOB
SCHEMBL6463397 0.90 MAPT (0.33) CNR2

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