SCHEMBL7009531

SCHEMBL7009531

CCOC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.76
HTR1D P28221 14/20 0.76
HTR1B P28222 13/20 0.76
HTR1A P08908 12/20 0.76
HTR2A P28223 2/20 0.76
HTR2C P28335 2/20 0.76
HTR1E P28566 2/20 0.76
HTR4 Q13639 2/20 0.76
HTR6 P50406 1/20 0.76

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
SCHEMBL7013065 0.89 HTR1F (0.70) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007607 0.86 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010723 0.85 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015988 0.84 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012206 0.84 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009046 0.84 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015117 0.83 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015264 0.83 HTR1F (0.85) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011869 0.83 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007051 0.82 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A

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-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed