SCHEMBL7004660

SCHEMBL7004660

CN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 14/20 0.79
HTR1A P08908 5/20 0.61
HTR1D P28221 4/20 0.61
HTR1B P28222 4/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR1E P28566 1/20 0.61
HTR4 Q13639 1/20 0.61
SLC6A4 P31645 1/20 0.52

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
SCHEMBL7013258 0.90 HTR1F (0.64) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7013847 0.88 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012793 0.85 HTR1F (0.76) HTR1FHTR1AHTR1DHTR1BSLC6A4
SCHEMBL7011710 0.84 HTR1F (0.76) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7478687 0.80 NOS3 (0.69) HTR1FHTR1AHTR1DHTR1BSLC6A4
SCHEMBL8381812 0.79 HTR1F (0.63) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL8385462 0.79 HTR1F (0.62) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7007093 0.79 HTR1F (0.83) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7012389 0.77 HTR1F (0.50) HTR1FHTR1ASLC6A4
SCHEMBL30909151 0.77 HTR1F (0.53) HTR1FHTR1ASLC6A4

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