SCHEMBL8459989

SCHEMBL8459989

CCCCN1CCC(c2c[nH]c3ccc(N(C(=O)NCC)c4ccccc4)nc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 19/20 0.54
HTR1D P28221 10/20 0.50
HTR1B P28222 9/20 0.47
HTR1A P08908 8/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
HTR6 P50406 1/20 0.45
HTR4 Q13639 1/20 0.45

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
SCHEMBL7013501 0.80 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013905 0.75 HTR1F (0.70) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013589 0.74 HTR1F (0.80) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8458326 0.73 HTR1F (0.68) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012060 0.73 HTR1F (0.79) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015495 0.73 HTR1F (0.72) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012407 0.73 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909195 0.72 HTR1F (0.55) HTR1FHTR1DHTR1B
Toluic Acid SCHEMBL7013141 0.71 HTR1F (0.56) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7475547 0.71 HTR1D (0.56) HTR1FHTR1DHTR1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919936-A 5-HT1F AGONIST INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed