SCHEMBL30908856

SCHEMBL30908856

CCCOc1ccccc1OC(=O)Nc1ccc2[nH]cc(C3CCN(C(C)CCC)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.49
HTR1B P28222 16/20 0.49
HTR1A P08908 2/20 0.48
HTR1F P30939 2/20 0.48
CHRM2 P08172 1/20 0.43
DRD2 P14416 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
SCHEMBL7484169 1.00 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481601 0.89 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8548353 0.85 UBE2M (0.40) DRD2
SCHEMBL7484174 0.85 HTR1D (0.57) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481580 0.84 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481071 0.84 HTR1D (0.51) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL8383615 0.82 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7485654 0.82 HTR1D (0.59) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL7481606 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1F
SCHEMBL30908968 0.81 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1F

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