SCHEMBL8724037

SCHEMBL8724037

O=C(Nc1ccc2[nH]cc(C3CCC4CCCCN4CC3)c2c1)Nc1cc(I)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.47
HTR1B P28222 14/20 0.47
HTR1A P08908 2/20 0.47
HTR1F P30939 2/20 0.47
CCR2 P41597 1/20 0.43
SLC2A1 P11166 1/20 0.42
SLC6A4 P31645 1/20 0.41
CHRM2 P08172 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL8724231 0.89 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8723870 0.85 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8386435 0.84 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL30909067 0.82 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FSLC2A1
SCHEMBL8387137 0.81 SLC6A4 (0.43) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8723990 0.81 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8721060 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8723889 0.80 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FSLC6A4
SCHEMBL8382523 0.80 MAPT (0.38) HTR1DHTR1B
SCHEMBL7485359 0.80 CCR2 (0.58) HTR1DHTR1BHTR1AHTR1FCCR2

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