SCHEMBL8632679

SCHEMBL8632679

C=CCN(CC=C)C1CCc2ccc3cc[nH]c3c2C1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.57
HTR1B P28222 14/20 0.48
HTR1A P08908 1/20 0.40

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
SCHEMBL10985541 0.82 HTR1D (0.66) HTR1DHTR1BHTR1A
SCHEMBL7371196 0.81 HTR1D (0.83) HTR1DHTR1B
SCHEMBL7587763 0.74 HTR1D (0.49) HTR1DHTR1BHTR1A
SCHEMBL8315256 0.73 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7437054 0.73 HTR1D (0.60) HTR1DHTR1BHTR1A
SCHEMBL8676889 0.72 HTR1A (0.65) HTR1DHTR1BHTR1A
SCHEMBL9189284 0.72 HTR1D (0.46) HTR1DHTR1BHTR1A
SCHEMBL10487258 0.72 PLAU (0.41) HTR1D
Hydrochloric Acid SCHEMBL7936160 0.71 HTR1A (0.64) HTR1DHTR1BHTR1A
SCHEMBL7587753 0.71 HTR1D (0.46) 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 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