SCHEMBL7018965

SCHEMBL7018965

CN1CCC(c2c[nH]c3ccc(-c4ccccn4)nc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 19/20 0.62
HTR1D P28221 16/20 0.62
HTR1B P28222 16/20 0.62
HTR1A P08908 13/20 0.62
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR6 P50406 1/20 0.51
HTR4 Q13639 1/20 0.51

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
SCHEMBL7840743 0.85 HTR1F (0.61) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909178 0.82 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL3257683 0.82 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011592 0.81 HTR1F (0.55) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7018204 0.81 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015899 0.79 HTR1F (0.58) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7018777 0.78 HTR1F (0.63) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015098 0.78 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7016273 0.78 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909180 0.77 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