SCHEMBL8316440

SCHEMBL8316440

CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 1.00
HTR1B P28222 13/20 1.00
DRD2 P14416 2/20 0.57
DRD3 P35462 1/20 0.56

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
SCHEMBL7442109 0.91 HTR1D (0.84) HTR1DHTR1BDRD2DRD3
SCHEMBL8315482 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8316283 0.84 HTR1D (1.00) HTR1DHTR1BDRD2
SCHEMBL7436234 0.83 HTR1D (0.86) HTR1DHTR1BDRD2DRD3
SCHEMBL8315256 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8318263 0.81 HTR1D (1.00) HTR1DHTR1BDRD2DRD3
SCHEMBL7434651 0.81 HTR1D (0.83) HTR1DHTR1BDRD2
SCHEMBL7442744 0.79 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8313410 0.78 HTR1D (1.00) HTR1DHTR1B
SCHEMBL3736504 0.77 DRD2 (0.79) 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 6 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
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed