SCHEMBL8316936

SCHEMBL8316936

CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 1.00
HTR1B P28222 17/20 1.00
HTR1A P08908 1/20 0.78

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
SCHEMBL7449864 0.93 HTR1D (0.87) HTR1DHTR1BHTR1A
SCHEMBL8312369 0.88 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL8313410 0.83 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL8312983 0.82 HTR1B (1.00) HTR1DHTR1BHTR1A
SCHEMBL8316699 0.82 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL8316939 0.80 HTR1D (0.67) HTR1DHTR1BHTR1A
SCHEMBL7439194 0.80 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL7448912 0.80 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL8318263 0.80 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL7439303 0.75 HTR1D (0.87) HTR1DHTR1BHTR1A

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 5 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
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