SCHEMBL8317195

SCHEMBL8317195

CCCN(Cc1ccccc1)C1CCc2ccc3c(c2C1)C(=O)C(=O)N3

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.59
HTR1B P28222 7/20 0.59
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.51

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
SCHEMBL8887664 0.90 HTR1D (0.66) HTR1DHTR1BDRD2DRD3
SCHEMBL7443673 0.83 DRD2 (0.59) HTR1DHTR1BDRD2DRD3
SCHEMBL10972719 0.81 HTR1D (0.57) HTR1DHTR1BDRD2DRD3
SCHEMBL10981096 0.77 HTR1D (0.48) HTR1DHTR1BDRD2DRD3
SCHEMBL8316440 0.74 HTR1D (1.00) HTR1DHTR1BDRD2DRD3
SCHEMBL3736504 0.74 DRD2 (0.79) HTR1DHTR1BDRD2DRD3
SCHEMBL7441030 0.74 DRD3 (0.45) HTR1DHTR1BDRD2DRD3
SCHEMBL3732774 0.73 DRD2 (0.85) HTR1DHTR1BDRD2DRD3
SCHEMBL7443661 0.73 DRD2 (0.49) HTR1DHTR1BDRD2DRD3
SCHEMBL7443670 0.73 DRD2 (0.49) HTR1DHTR1BDRD2DRD3

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 4 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 disclosed
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed