SCHEMBL8725966

SCHEMBL8725966

O=C(Nc1ccc2[nH]cc(C3=CCN4CCCCC4CC3)c2n1)Nc1ccc(F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 13/20 0.46
HTR1D P28221 6/20 0.41
HTR1B P28222 5/20 0.41
HTR1A P08908 4/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
HTR4 Q13639 1/20 0.36
PARP1 P09874 2/20 0.35
MAPT P10636 1/20 0.34
CDK9 P50750 4/20 0.34
CCNT1 O60563 3/20 0.34

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
SCHEMBL8723863 0.85 SLC6A4 (0.41) HTR1DHTR1AHTR2AHTR2CMAPT
SCHEMBL8724046 0.84 HTR1F (0.44) HTR1FHTR1DHTR1BHTR1APARP1
SCHEMBL30908995 0.79 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909115 0.78 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8724225 0.78 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8720598 0.77 NOS3 (0.42) HTR1AHTR2AHTR2CMAPT
SCHEMBL8385333 0.77 HTR1F (0.40) HTR1FHTR1DHTR1BHTR1APARP1
SCHEMBL8385462 0.76 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL8725956 0.76 HTR1F (0.54) HTR1FHTR1DHTR1BHTR1APARP1
SCHEMBL8721888 0.75 HTR1F (0.39) HTR1FHTR1DHTR1BHTR1ACDK9

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
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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed