SCHEMBL6455324

SCHEMBL6455324

CCCC1CCC2CC(c3ccc(C4NC(C)(C)CO4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.32
TLR4 O00206 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
SCHEMBL6453182 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6454310 0.93 CYP2C9 (0.30) CYP2C9DRD2
SCHEMBL6454305 0.93 CYP2C9 (0.30) CYP2C9DRD2
SCHEMBL6454582 0.92 GAA (0.31) CYP2C9MAPTMEN1KMT2A
SCHEMBL6454584 0.92 GAA (0.31) CYP2C9MAPTMEN1KMT2A
SCHEMBL6452061 0.91 GAA (0.33) MAPT
SCHEMBL6452063 0.91 GAA (0.33) MAPT
SCHEMBL6450806 0.91 GAA (0.33) MAPT
SCHEMBL6450811 0.91 GAA (0.33) MAPT
SCHEMBL6463307 0.91 DRD2 (0.30) DRD2

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