SCHEMBL30909053

SCHEMBL30909053

CCCc1cccc(C(=S)Nc2ccc3[nH]cc(C4CCN(CCC)CC4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.52
HTR1B P28222 17/20 0.52
CHRM2 P08172 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1A P08908 1/20 0.49
HTR1F P30939 1/20 0.49

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
SCHEMBL7480628 1.00 HTR1D (0.52) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL30908768 0.85 SLC6A4 (0.44) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL8383651 0.85 SLC6A4 (0.44) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7485431 0.84 HTR1D (0.65) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL8547830 0.83 DRD2 (0.52) DRD2
SCHEMBL7484678 0.80 HTR1D (0.73) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7480742 0.77 HTR1D (0.61) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7483902 0.77 HTR1D (0.51) HTR1DHTR1BCHRM2DRD2
SCHEMBL7485421 0.77 HTR1D (0.55) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7480617 0.76 CCR2 (0.61) HTR1DHTR1BCHRM2DRD2

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