SCHEMBL7017007

SCHEMBL7017007

CN1CCC(c2c[nH]c3ccc(-c4ccc(NC(=O)c5ccc(F)cc5)cc4)cc23)CC1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.85
HTR1B P28222 16/20 0.85
HTR1F P30939 6/20 0.85
HTR1A P08908 5/20 0.85
CHRM2 P08172 1/20 0.68
DRD2 P14416 1/20 0.68
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR1E P28566 1/20 0.61
HTR4 Q13639 1/20 0.61

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
SCHEMBL6911508 0.92 HTR1D (1.00) HTR1DHTR1BHTR1FHTR1ACHRM2
Hydrochloric Acid SCHEMBL8604274 0.91 HTR1D (0.98) HTR1DHTR1BHTR1FHTR1ACHRM2
Fumaric Acid SCHEMBL7485328 0.87 HTR1D (0.89) HTR1DHTR1BHTR1FHTR1ACHRM2
Fumaric Acid SCHEMBL7485333 0.87 HTR1D (0.89) HTR1DHTR1BHTR1FHTR1ACHRM2
SCHEMBL7483506 0.87 HTR1D (0.79) HTR1DHTR1BHTR1FHTR1ACHRM2
SCHEMBL7842102 0.85 HTR1D (0.64) HTR1DHTR1BHTR1FHTR1A
SCHEMBL7009508 0.85 HTR1D (0.83) HTR1DHTR1BHTR1FHTR1A
SCHEMBL7484191 0.84 HTR1D (0.81) HTR1DHTR1BHTR1FHTR1ACHRM2
SCHEMBL7482014 0.83 HTR1D (0.83) HTR1DHTR1BHTR1FHTR1ACHRM2
SCHEMBL7480604 0.83 HTR1D (0.83) HTR1DHTR1BHTR1FHTR1ACHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089993-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2003-10-22 EP disclosed
US-6358972-B1 FOR THERAPY OF MIGRAINE ELI LILLY AND COMPANY 2002-03-19 US disclosed