SCHEMBL30909175

SCHEMBL30909175

CCCc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN5CCCCC5C4)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.53
HTR1B P28222 16/20 0.53
RORC P51449 1/20 0.52
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
CHRM2 P08172 1/20 0.47
DRD2 P14416 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
SCHEMBL8386464 1.00 HTR1D (0.53) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL30908768 0.91 SLC6A4 (0.44) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL8383651 0.91 SLC6A4 (0.44) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL8383584 0.90 RORC (0.53) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL30909007 0.90 RORC (0.53) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL8385486 0.87 RORC (0.53) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL30908867 0.87 RORC (0.53) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL8387192 0.86 HTR1D (0.57) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL8386924 0.86 RORC (0.55) HTR1DHTR1BRORCHTR1AHTR1F
SCHEMBL30909279 0.86 RORC (0.55) HTR1DHTR1BRORCHTR1AHTR1F

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