SCHEMBL30908968

SCHEMBL30908968

CCCON(C(=O)Nc1ccc2[nH]cc(C3CCN(C(C)CCC)CC3)c2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.48
HTR1B P28222 10/20 0.48
UBE2M P61081 10/20 0.47
DCUN1D1 Q96GG9 10/20 0.47
HTR1A P08908 1/20 0.47
HTR1F P30939 1/20 0.47

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
SCHEMBL7481606 1.00 HTR1D (0.48) HTR1DHTR1BUBE2MDCUN1D1HTR1A
SCHEMBL8553042 0.85 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8387075 0.83 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1F
SCHEMBL30908791 0.83 HTR1D (0.46) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7485654 0.83 HTR1D (0.59) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7486693 0.83 HTR1D (0.55) HTR1DHTR1BUBE2MDCUN1D1HTR1A
SCHEMBL7484169 0.81 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1F
SCHEMBL30908856 0.81 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7490112 0.81 HTR1D (0.52) HTR1DHTR1BHTR1AHTR1F
SCHEMBL27527183 0.80 CCR2 (0.46) 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