SCHEMBL8387137

SCHEMBL8387137

S=C(Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1)Nc1cc(I)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
HTR1D P28221 15/20 0.42
HTR1B P28222 13/20 0.42
HTR1A P08908 2/20 0.42
HTR1F P30939 2/20 0.42
APP P05067 1/20 0.37
CHRM2 P08172 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL8382108 0.84 SLC6A4 (0.46) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8725963 0.82 HTR1D (0.44) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383553 0.81 SLC6A4 (0.45) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8724037 0.81 HTR1D (0.47) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8382954 0.81 HTR1D (0.44) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8709412 0.81 SLC6A4 (0.52) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8381747 0.80 NOS3 (0.40) SLC6A4HTR1DHTR1B
SCHEMBL7485929 0.79 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8386435 0.78 HTR1D (0.47) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383598 0.78 SLC6A4 (0.47) SLC6A4HTR1DHTR1BHTR1AHTR1F

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
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed