SCHEMBL8725960

SCHEMBL8725960

CCC(C)S(=O)(=O)N(c1ccc2scc(C3CCC4CCCCN4CC3)c2c1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8725944 0.76 HRH3 (0.34) DRD2SLC6A4HRH3
SCHEMBL8721036 0.75 DRD2 (0.39) DRD2SLC6A4HRH3OPRM1OPRK1
SCHEMBL8721050 0.72 MEN1 (0.35) DRD2SLC6A4HRH3OPRM1OPRK1
SCHEMBL8723636 0.72 RAB9A (0.39) DRD2SLC6A4HRH3OPRM1OPRK1
SCHEMBL8723720 0.71 DRD2 (0.35) DRD2SLC6A4HRH3OPRM1OPRK1
SCHEMBL30909231 0.71 DRD2 (0.54) DRD2SLC6A4OPRM1OPRK1
SCHEMBL8706248 0.70 HRH3 (0.41) DRD2SLC6A4HRH3
SCHEMBL8722116 0.70 HRH3 (0.43) DRD2SLC6A4HRH3OPRM1OPRK1
SCHEMBL8721868 0.69 HRH3 (0.34) DRD2SLC6A4HRH3
SCHEMBL8722113 0.69 CHRM2 (0.48) DRD2SLC6A4HRH3

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 2 patents. 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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed