SCHEMBL6451679

SCHEMBL6451679

CCCC1CC[C@@H]2C[C@H](CCc3ccc(F)cc3)CC[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37

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
SCHEMBL6451681 1.00 MAOB (0.43) MAOBMAOATAAR1
SCHEMBL5684187 0.93 MAOB (0.41) MAOBMAOATAAR1
SCHEMBL5684184 0.93 MAOB (0.41) MAOBMAOATAAR1
SCHEMBL12031950 0.92 MAOB (0.47) MAOBMAOATAAR1
SCHEMBL4797635 0.90 MAOB (0.49) MAOBMAOATAAR1
SCHEMBL4797639 0.90 MAOB (0.49) MAOBMAOATAAR1
SCHEMBL4797918 0.90 MAOB (0.49) MAOBMAOATAAR1
SCHEMBL10479723 0.87 MAOB (0.51) MAOBMAOATAAR1
SCHEMBL10479720 0.87 MAOB (0.51) MAOBMAOATAAR1
SCHEMBL6453937 0.86 CYP17A1 (0.38) MAOBMAOATAAR1

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