SCHEMBL30909007

SCHEMBL30909007

CCCC(=O)c1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN5CCCCC5C4)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
HTR1D P28221 19/20 0.50
HTR1B P28222 16/20 0.50
HTR1A P08908 1/20 0.50
HTR1F P30939 1/20 0.50
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
SCHEMBL8383584 1.00 RORC (0.53) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL30909175 0.90 HTR1D (0.53) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL8386464 0.90 HTR1D (0.53) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL30908867 0.87 RORC (0.53) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL8385486 0.87 RORC (0.53) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL8387192 0.87 HTR1D (0.57) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL30909279 0.87 RORC (0.55) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL8386924 0.87 RORC (0.55) RORCHTR1DHTR1BHTR1AHTR1F
Hydrochloric Acid SCHEMBL8386523 0.86 HTR1D (0.56) RORCHTR1DHTR1BHTR1AHTR1F
SCHEMBL8383644 0.86 RORC (0.49) RORCHTR1DHTR1BHTR1AHTR1F

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