SCHEMBL30909141

SCHEMBL30909141

CCCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(C(=O)CC)c4)cc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.66
HTR1B P28222 17/20 0.66
CHRM2 P08172 1/20 0.66
DRD2 P14416 1/20 0.66
HTR1A P08908 1/20 0.56
HTR1F P30939 1/20 0.56

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
SCHEMBL7480530 1.00 HTR1D (0.66) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7487561 0.92 HTR1D (0.59) HTR1DHTR1BCHRM2DRD2
SCHEMBL7480403 0.91 HTR1D (0.74) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7482309 0.90 HTR1D (0.76) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7485431 0.89 HTR1D (0.65) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7481803 0.88 HTR1D (0.74) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7484546 0.88 HTR1D (0.63) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7483539 0.88 RORC (0.69) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL30908802 0.88 HTR1D (0.63) HTR1DHTR1BCHRM2DRD2HTR1A
SCHEMBL7480605 0.85 HTR1D (0.90) HTR1DHTR1BCHRM2DRD2HTR1A

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