SCHEMBL7480346

SCHEMBL7480346

CCCC(C)N1CCC(c2c[nH]c3ccc(NC(=S)Nc4cccc(I)c4Br)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.47
HTR1B P28222 15/20 0.47
HTR1A P08908 2/20 0.45
HTR1F P30939 2/20 0.45
APP P05067 1/20 0.41
CCR2 P41597 1/20 0.38
HTR6 P50406 1/20 0.38
CHRM2 P08172 1/20 0.38
DRD2 P14416 1/20 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
SCHEMBL7481110 0.91 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7484773 0.85 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7475411 0.83 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7481645 0.83 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7481588 0.81 NOS3 (0.47)
SCHEMBL7481902 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7490145 0.81 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7483667 0.79 UBE2M (0.48) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL7485759 0.79 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8383553 0.78 SLC6A4 (0.45) HTR1DHTR1BHTR1AHTR1FAPP

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-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5962474-A ANALGESICS; HEADACHES ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed