SCHEMBL6455355

SCHEMBL6455355

CCCCCCCC1CCC2CC(c3ccc(-c4ccc(C5=NC(C)(C)CO5)cc4)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
IL2 P60568 1/20 0.33
CYP2D6 P10635 1/20 0.33
FASN P49327 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
S1PR3 Q99500 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
SCHEMBL6456483 1.00 MAPT (0.35) MAPTLMNAHTTHRH3IL2
SCHEMBL6455353 1.00 MAPT (0.35) MAPTLMNAHTTHRH3IL2
SCHEMBL6456489 1.00 MAPT (0.35) MAPTLMNAHTTHRH3IL2
SCHEMBL6454501 0.99 MAPT (0.36) MAPTLMNAHTTHRH3IL2
SCHEMBL6454504 0.99 MAPT (0.36) MAPTLMNAHTTHRH3IL2
SCHEMBL6451879 0.96 LMNA (0.36) MAPTLMNAHTTHRH3IL2
SCHEMBL6451882 0.96 LMNA (0.36) MAPTLMNAHTTHRH3IL2
SCHEMBL6453741 0.94 MAPT (0.33) MAPTLMNAHTTFASNGAA
SCHEMBL6452659 0.94 MAPT (0.33) MAPTLMNAHTTFASNGAA
SCHEMBL6452664 0.94 MAPT (0.33) MAPTLMNAHTTFASNGAA

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