SCHEMBL8387232

SCHEMBL8387232

O=C(Nc1ccc2[nH]cc(C3CCN4CCCC4C3)c2c1)Nc1ccc(F)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
HTR1D P28221 16/20 0.49
HTR1B P28222 13/20 0.49
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
CHRM2 P08172 1/20 0.47
DRD2 P14416 1/20 0.47
HSD11B1 P28845 1/20 0.44
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43

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
SCHEMBL8383229 0.88 SLC6A4 (0.56) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL7482982 0.85 HTR1D (0.68) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8387149 0.84 SLC6A4 (0.58) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8386450 0.84 HTR1D (0.49) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383522 0.83 HTR1D (0.48) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8708176 0.83 HTR1D (0.53) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8385370 0.83 SLC6A4 (0.55) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8385368 0.82 HTR1D (0.56) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8387309 0.82 HTR1D (0.50) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8386435 0.81 HTR1D (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