SCHEMBL6452401

SCHEMBL6452401

CC=CCC[C@@H]1CC[C@@H]2CC(c3ccc(Cl)cc3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
SRD5A1 P18405 2/20 0.33
LSS P48449 2/20 0.33
HTR3A P46098 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 1/20 0.32
SLC6A3 Q01959 1/20 0.31
SLC2A1 P11166 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPT P10636 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
SCHEMBL6452410 1.00 DRD2 (0.35) DRD2SRD5A1LSSHTR3AL3MBTL1
SCHEMBL6452405 1.00 DRD2 (0.35) DRD2SRD5A1LSSHTR3AL3MBTL1
SCHEMBL5687117 0.94 DRD2 (0.33) DRD2SRD5A1LSSHTR3AL3MBTL1
SCHEMBL5687111 0.94 DRD2 (0.33) DRD2SRD5A1LSSHTR3AL3MBTL1
SCHEMBL6464392 0.87 SLC6A2 (0.32) SLC6A3ESR2
SCHEMBL6464394 0.87 SLC6A2 (0.32) SLC6A3ESR2
SCHEMBL6464387 0.87 SLC6A2 (0.32) SLC6A3ESR2
SCHEMBL7923289 0.87 SLC6A2 (0.32) SLC6A3ESR2
SCHEMBL6450760 0.85 IDO1 (0.39) DRD2SRD5A1HTR3AIDO1SLC2A1
SCHEMBL6450757 0.85 IDO1 (0.39) DRD2SRD5A1HTR3AIDO1SLC2A1

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