SCHEMBL6454750

SCHEMBL6454750

COc1ccc(C2CCC3CC(CCC=O)CCC3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DGAT1 O75907 2/20 0.38
GRIN2B Q13224 1/20 0.36
USP30 Q70CQ3 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CCR2 P41597 6/20 0.35

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
SCHEMBL6454747 1.00 DRD2 (0.38) DRD2DGAT1GRIN2BUSP30SLC6A2
SCHEMBL6453646 0.88 DRD2 (0.37) DRD2DGAT1GRIN2BSLC6A2SLC6A4
SCHEMBL6453649 0.88 DRD2 (0.37) DRD2DGAT1GRIN2BSLC6A2SLC6A4
SCHEMBL6455252 0.87 DRD2 (0.36) DRD2DGAT1GRIN2BSLC6A2SLC6A4
SCHEMBL6455248 0.87 DRD2 (0.36) DRD2DGAT1GRIN2BSLC6A2SLC6A4
SCHEMBL6455247 0.87 DRD2 (0.36) DRD2DGAT1GRIN2BSLC6A2SLC6A4
SCHEMBL6463704 0.85 DRD2 (0.47) DRD2GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6456399 0.85 DRD2 (0.47) DRD2GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6456394 0.85 DRD2 (0.47) DRD2GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL6453170 0.84 EPHX2 (0.39) KDM1A

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