SCHEMBL6464612

SCHEMBL6464612

COc1cc(F)c2cc(C3CCC4CC(C)CCC4C3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DPP4 P27487 3/20 0.31
CASR P41180 1/20 0.31
FDFT1 P37268 1/20 0.31
HTR1A P08908 1/20 0.31
CNR2 P34972 1/20 0.31
CPS1 P31327 2/20 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
SCHEMBL6464610 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3TSHRL3MBTL1
SCHEMBL6452153 0.85 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3L3MBTL1KDM1A
SCHEMBL6452149 0.85 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3L3MBTL1KDM1A
SCHEMBL6450731 0.84 HTR2C (0.31) SLC6A4SLC6A2SLC6A3TSHRMAOB
SCHEMBL6450725 0.84 HTR2C (0.31) SLC6A4SLC6A2SLC6A3TSHRMAOB
SCHEMBL6459089 0.83 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3TSHRL3MBTL1
SCHEMBL6459095 0.83 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3TSHRL3MBTL1
SCHEMBL6456435 0.83 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3L3MBTL1KDM1A
SCHEMBL6456441 0.83 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3L3MBTL1KDM1A
SCHEMBL6460569 0.83

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