SCHEMBL8387149

SCHEMBL8387149

O=C(Nc1cccc(F)c1)Nc1ccc2[nH]cc(C3CCN4CCCCC4C3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.58
HTR1D P28221 16/20 0.50
HTR1B P28222 13/20 0.50
HTR1A P08908 2/20 0.50
HTR1F P30939 2/20 0.50
CHRM2 P08172 1/20 0.47
DRD2 P14416 1/20 0.47
HSD11B1 P28845 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
SCHEMBL8713578 0.91 SLC6A4 (0.52) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8385370 0.89 SLC6A4 (0.55) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383437 0.89 SLC6A4 (0.53) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8708176 0.88 HTR1D (0.53) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8387141 0.87 HTR1D (0.50) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8386450 0.86 HTR1D (0.49) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383600 0.86 HTR1D (0.48) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8383511 0.85 HTR1D (0.49) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8382127 0.85 HTR1D (0.70) SLC6A4HTR1DHTR1BHTR1AHTR1F
SCHEMBL8385309 0.85 HTR1D (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
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