SCHEMBL6463487

SCHEMBL6463487

CC1CCC2CC(c3ccc(Cl)cc3)CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
HTR3A P46098 1/20 0.41
DRD2 P14416 1/20 0.40
TRPV1 Q8NER1 2/20 0.38
SRD5A1 P18405 2/20 0.38
SLC2A1 P11166 1/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LSS P48449 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
SCHEMBL6463483 1.00 ESR2 (0.43) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL6460458 0.95 ESR2 (0.40) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL6460461 0.95 ESR2 (0.40) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL6453206 0.91 KCNH2 (0.37) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL6453203 0.91 KCNH2 (0.37) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL10700576 0.89 ESR2 (0.48) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL27394196 0.89 ESR2 (0.48) ESR2HTR3ADRD2TRPV1SRD5A1
SCHEMBL6463971 0.84 SLC6A2 (0.35) ESR2TRPV1
SCHEMBL6463976 0.84 SLC6A2 (0.35) ESR2TRPV1
SCHEMBL9955456 0.83 ESR2 (0.57) ESR2HTR3ADRD2SRD5A1SLC2A1

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