SCHEMBL7016147

SCHEMBL7016147

CN1CCC(c2c[nH]c3ccc(NC(=O)c4cc(F)c(F)cc4F)nc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.79
HTR1A P08908 17/20 0.79
HTR1D P28221 16/20 0.73
HTR1B P28222 15/20 0.73
HTR2A P28223 2/20 0.73
HTR2C P28335 2/20 0.73
HTR1E P28566 2/20 0.73
HTR4 Q13639 2/20 0.73
HTR6 P50406 1/20 0.66

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
SCHEMBL7011886 0.91 HTR1F (0.80) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7006550 0.89 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012219 0.88 HTR1F (0.81) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7007274 0.87 HTR1F (0.75) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011605 0.85 HTR1F (0.81) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011035 0.85 HTR1F (0.77) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011623 0.84 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7007507 0.83 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012876 0.83 HTR1F (0.80) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7008731 0.83 HTR1F (1.00) 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 6 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-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5919936-A 5-HT1F AGONIST INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-07-06 US 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