SCHEMBL6451738

SCHEMBL6451738

CC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
SIGMAR1 Q99720 1/20 0.41
P2RY14 Q15391 2/20 0.40
KIF11 P52732 5/20 0.37
ESR2 Q92731 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6451743 1.00 HTR2C (0.44) HTR2CSIGMAR1P2RY14KIF11ESR2
SCHEMBL6454212 0.87 HTR2C (0.41) HTR2CSIGMAR1P2RY14ESR2MEN1
SCHEMBL6454207 0.87 HTR2C (0.41) HTR2CSIGMAR1P2RY14ESR2MEN1
SCHEMBL17147613 0.86 HTR2C (0.53) HTR2CSIGMAR1P2RY14ESR2KDM1A
SCHEMBL19102561 0.86 HTR2C (0.53) HTR2CSIGMAR1P2RY14ESR2KDM1A
SCHEMBL17147616 0.86 HTR2C (0.53) HTR2CSIGMAR1P2RY14ESR2KDM1A
SCHEMBL6455885 0.85 APP (0.41) HTR2CSIGMAR1P2RY14KIF11
SCHEMBL6455881 0.85 APP (0.41) HTR2CSIGMAR1P2RY14KIF11
SCHEMBL11280521 0.84 HTR2C (0.56) HTR2CSIGMAR1P2RY14KIF11ESR2
SCHEMBL26480380 0.84 HTR2C (0.56) HTR2CSIGMAR1P2RY14KIF11ESR2

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