SCHEMBL7010245

SCHEMBL7010245

CCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4S(C)(=O)=O)nc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.68
HTR1A P08908 10/20 0.61
HTR1D P28221 10/20 0.61
HTR1B P28222 8/20 0.61
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54
HTR6 P50406 1/20 0.54
HTR4 Q13639 1/20 0.54

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
SCHEMBL30909098 1.00 HTR1F (0.68) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL30908882 0.84 HTR1F (0.68) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012046 0.84 HTR1F (0.68) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012060 0.83 HTR1F (0.79) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7489613 0.83 HTR1D (0.59) HTR1FHTR1AHTR1DHTR1B
SCHEMBL7013589 0.82 HTR1F (0.80) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7014539 0.81 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7013905 0.81 HTR1F (0.70) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7009243 0.79 HTR1F (0.79) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL8458326 0.79 HTR1F (0.68) HTR1FHTR1AHTR1DHTR1BHTR2A

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-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
US-5817671-A ANTISEROTONIN AGENT; ANALGESICS; MIGRAINE THERAPY; COMPOUND CONTAINING PYRROLO(3,2-B)PYRIDINE RING ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed