SCHEMBL30909115

SCHEMBL30909115

CCCC(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 15/20 0.54
HTR1D P28221 6/20 0.46
HTR1B P28222 5/20 0.46
PARP1 P09874 4/20 0.46
HTR1A P08908 5/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR6 P50406 1/20 0.44
HTR4 Q13639 1/20 0.44

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
SCHEMBL8724225 1.00 HTR1F (0.54) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL30909238 0.87 HTR1F (0.46) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL8386631 0.85 HTR1F (0.56) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL30908959 0.85 HTR1F (0.51) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL8725940 0.85 HTR1F (0.51) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL30908995 0.84 HTR1F (0.54) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL30909285 0.84 HTR1F (0.48) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL8721234 0.84 HTR1F (0.48) HTR1FHTR1DHTR1BPARP1HTR1A
Glycolic Acid SCHEMBL30909163 0.81 HTR1F (0.52) HTR1FHTR1DHTR1BPARP1HTR1A
SCHEMBL8725956 0.81 HTR1F (0.54) HTR1FHTR1DHTR1BPARP1HTR1A

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
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