SCHEMBL30908995

SCHEMBL30908995

O=C(Nc1ccc2[nH]cc(C3=CCN4CCCCC4CC3)c2n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 18/20 0.54
HTR1A P08908 11/20 0.51
HTR1B P28222 9/20 0.51
HTR1D P28221 8/20 0.51
PARP1 P09874 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR4 Q13639 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
SCHEMBL8725956 0.87 HTR1F (0.54) HTR1FHTR1AHTR1BHTR1DPARP1
SCHEMBL30909238 0.85 HTR1F (0.46) HTR1FHTR1AHTR1BHTR1DPARP1
SCHEMBL8724225 0.84 HTR1F (0.54) HTR1FHTR1AHTR1BHTR1DPARP1
SCHEMBL30909115 0.84 HTR1F (0.54) HTR1FHTR1AHTR1BHTR1DPARP1
SCHEMBL8385462 0.84 HTR1F (0.62) HTR1FHTR1AHTR1BHTR1DHTR2A
SCHEMBL8381812 0.81 HTR1F (0.63) HTR1FHTR1AHTR1BHTR1DHTR2A
SCHEMBL8724046 0.81 HTR1F (0.44) HTR1FHTR1AHTR1BHTR1DPARP1
SCHEMBL8725940 0.80 HTR1F (0.51) HTR1FHTR1AHTR1BHTR1DPARP1
SCHEMBL30908959 0.80 HTR1F (0.51) HTR1FHTR1AHTR1BHTR1DPARP1
Fumaric Acid SCHEMBL8386515 0.79 HTR1F (0.59) HTR1FHTR1AHTR1BHTR1DHTR2A

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