SCHEMBL6457849

SCHEMBL6457849

CCCCCCCC1CCC2C[C@H](c3ccc4cc(OC)cc(F)c4c3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CCR2 P41597 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GRM2 Q14416 2/20 0.31
DRD2 P14416 2/20 0.30
S1PR1 P21453 4/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL6454353 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2GAA
SCHEMBL6454358 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2GAA
SCHEMBL6457852 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2GAA
SCHEMBL6458559 0.99 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2KDM1A
SCHEMBL6458565 0.99 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2KDM1A
SCHEMBL6451739 0.96 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3CCR2KDM1A
SCHEMBL6451744 0.96 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3CCR2KDM1A
SCHEMBL6456441 0.92 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3CCR2MAPT
SCHEMBL6456435 0.92 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3CCR2MAPT
SCHEMBL6452153 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CCR2KDM1A

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