SCHEMBL8385309

SCHEMBL8385309

O=Cc1ccc(NC(=O)Nc2ccc3[nH]cc(C4CCN5CCCCC5C4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.49
HTR1B P28222 15/20 0.49
SLC6A4 P31645 3/20 0.49
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL8713578 0.90 SLC6A4 (0.52) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8708176 0.87 HTR1D (0.53) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8385370 0.86 SLC6A4 (0.55) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8381458 0.85 HTR1D (0.51) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8387149 0.85 SLC6A4 (0.58) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8386488 0.84 HTR1D (0.55) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8386486 0.84 HTR1D (0.55) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8382133 0.84 HTR1D (0.50) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8387190 0.84 HTR1D (0.52) HTR1DHTR1BSLC6A4HTR1AHTR1F
SCHEMBL8385368 0.84 HTR1D (0.56) HTR1DHTR1BSLC6A4HTR1AHTR1F

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 3 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
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed