SCHEMBL7015705

SCHEMBL7015705

CN1CCC(c2c[nH]c3ccc(-c4ccsc4)nc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.60
HTR1D P28221 16/20 0.60
HTR1B P28222 15/20 0.60
HTR1A P08908 12/20 0.60
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR1E P28566 1/20 0.50
HTR6 P50406 1/20 0.50
HTR4 Q13639 1/20 0.50

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
SCHEMBL7831931 0.85 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7016273 0.81 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7018777 0.80 HTR1F (0.63) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7018204 0.80 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7017382 0.78 HTR1F (0.58) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7018965 0.76 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009081 0.75 HTR1F (0.71) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007941 0.75 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7006910 0.75 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011996 0.73 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 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