SCHEMBL8723633

SCHEMBL8723633

CCCCN(CCCC)C(=O)Nc1ccc2[nH]cc(C3CCC4CCCCN4CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.52
HTR1B P28222 16/20 0.52
HTR1A P08908 2/20 0.51
HTR1F P30939 2/20 0.51
CHRM2 P08172 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL30909270 1.00 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30908857 0.97 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8721066 0.87 HTR1D (0.55) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7480770 0.85 HTR1D (0.61) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8386457 0.85 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL30909136 0.82 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8383579 0.82 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8721021 0.82 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8721860 0.81 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1F
SCHEMBL8720670 0.81 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2

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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed