SCHEMBL8313876

SCHEMBL8313876

CCCN(C(=O)CC)C1COc2ccc3c(c2C1)CCN3C=O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38

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
SCHEMBL8318284 0.86 DRD2 (0.46) DRD2
SCHEMBL8316705 0.76 DRD2 (0.40) DRD2
SCHEMBL9432207 0.72 DRD2 (0.38) DRD2
SCHEMBL9432211 0.72 DRD2 (0.37) DRD2
SCHEMBL8316702 0.71 DRD2 (0.40) DRD2
SCHEMBL8317465 0.70 DRD2 (0.41) DRD2
SCHEMBL7439814 0.69 DRD2 (0.44) DRD2
SCHEMBL8311861 0.69 DRD3 (0.47) DRD2
SCHEMBL7449574 0.65 DRD3 (0.44) DRD2
SCHEMBL9441776 0.62 HTR1A (0.48) DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510068-B1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS UPJOHN CO (US) 1999-04-14 EP claimed
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP claimed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO claimed