SCHEMBL7527997

SCHEMBL7527997

Oc1cc2c(c3c1CC3)CCc1ccccc1C2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.49
DRD1 P21728 18/20 0.49
DRD5 P21918 16/20 0.49
DRD4 P21917 10/20 0.49
DRD3 P35462 13/20 0.44
CYP2A6 P11509 1/20 0.41

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
SCHEMBL7139434 0.91 DRD2 (0.47) DRD2DRD1DRD5DRD4DRD3
SCHEMBL5658358 0.80 DRD2 (0.44) DRD2DRD1DRD5DRD4DRD3
SCHEMBL1276263 0.76 DRD2 (0.56) DRD2DRD1DRD5DRD4DRD3
SCHEMBL250734 0.73 CYP2A6 (0.65) DRD2DRD1DRD5DRD4DRD3
SCHEMBL12191968 0.73 DRD1 (0.49) DRD2DRD1DRD5DRD4DRD3
SCHEMBL2771201 0.73 CYP2A6 (0.48) DRD2DRD1DRD5DRD4DRD3
SCHEMBL8893845 0.70 CYP2A6 (0.38) DRD2DRD1DRD5DRD4DRD3
SCHEMBL6903685 0.69 DRD1 (0.76) DRD2DRD1DRD5DRD4DRD3
SCHEMBL6901150 0.69 DRD1 (0.73) DRD2DRD1DRD5DRD4DRD3
SCHEMBL1445130 0.69 CYP2A6 (0.43) DRD2DRD1DRD5DRD4DRD3

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
EP-1189887-A2 PROCESS FOR PREPARING 10,11-METHANOBENZOSUBERANE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-27 EP disclosed
WO-2000075121-A2 PROCESS FOR PREPARING 10,11-METHANOBENZOSUBERANE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-12-14 WO disclosed