SCHEMBL7013523

SCHEMBL7013523

CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)nc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.82
HTR1A P08908 15/20 0.82
HTR1D P28221 13/20 0.82
HTR1B P28222 13/20 0.82
HTR2A P28223 1/20 0.82
HTR2C P28335 1/20 0.82
HTR1E P28566 1/20 0.82
HTR4 Q13639 1/20 0.82

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
SCHEMBL7009539 0.91 HTR1F (0.82) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011623 0.90 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7013190 0.89 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7010256 0.89 HTR1F (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7010296 0.89 HTR1F (0.77) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7008940 0.88 HTR1F (0.83) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7011642 0.88 HTR1F (0.83) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7008481 0.88 HTR1A (1.00) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7007274 0.87 HTR1F (0.75) HTR1FHTR1AHTR1DHTR1BHTR2A
SCHEMBL7006511 0.86 HTR1F (0.80) 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