SCHEMBL7518213

SCHEMBL7518213

C=CCN(CC=C)C1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.57
HTR1B P28222 8/20 0.44
HTR1D P28221 8/20 0.41
DRD2 P14416 2/20 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
Succinic Acid SCHEMBL7514648 0.95 HTR1A (0.53) HTR1AHTR1BHTR1DDRD2
Malic Acid SCHEMBL10347626 0.90 HTR1A (0.48) HTR1AHTR1BHTR1DDRD2
SCHEMBL7509146 0.85 HTR1A (0.67) HTR1AHTR1BHTR1DDRD2
SCHEMBL7509059 0.85 HTR1A (0.48) HTR1AHTR1BHTR1DDRD2
Iodide SCHEMBL7510396 0.84 HTR1A (0.65) HTR1AHTR1BHTR1DDRD2
SCHEMBL6364891 0.83 HTR1A (0.81) HTR1AHTR1BHTR1DDRD2
SCHEMBL6765275 0.83 HTR1A (0.81) HTR1AHTR1BHTR1DDRD2
SCHEMBL8983347 0.83 HTR1A (0.81) HTR1AHTR1BHTR1DDRD2
Acetic Acid SCHEMBL7515123 0.82 HTR1A (0.66) HTR1AHTR1BHTR1DDRD2
Bromide SCHEMBL7511914 0.82 HTR1A (0.80) HTR1AHTR1BHTR1DDRD2

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-1166783-A2 Tetrahydrobenz[CD]indole-6-carboxamides for treating sexual dysfunction ELI LILLY AND COMPANY (US) 2002-01-02 EP disclosed
EP-0444852-B1 Crystalline salt of 4-(di-n-propyl)amino-6-aminocarbonyl-1,3,4,5-tetrahydrobenz[cd]indole LILLY CO ELI (US) 1995-08-16 EP disclosed
US-5397799-A Anxiolytic agents, antidepressants ELI LILLY AND COMPANY (US) 1995-03-14 US disclosed
EP-0633023-A2 Preventing emesis and treating sexual dysfunction using tetrahydrobenz CD indole-6-carboxamides ELI LILLY AND COMPANY (US) 1995-01-11 EP disclosed
EP-0444852-A2 Crystalline salt of 4-(di-n-propyl)amino-6-aminocarbonyl-1,3,4,5-tetrahydrobenz[cd]indole ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed