SCHEMBL30908975

SCHEMBL30908975

CN1CCC(C(=O)c2cccc(NC(=O)c3c(Cl)cccc3Cl)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 12/20 0.72
HTR1D P28221 2/20 0.72
CHRM5 P08912 1/20 0.72
DRD5 P21918 1/20 0.72
HTR1E P28566 1/20 0.72
HTR7 P34969 1/20 0.72
OPRK1 P41145 1/20 0.72
TMEM97 Q5BJF2 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
HTR1A P08908 2/20 0.47
HTR1B P28222 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
JAK2 O60674 3/20 0.45
TYK2 P29597 3/20 0.45
JAK1 P23458 2/20 0.45
CDK9 P50750 1/20 0.45
JAK3 P52333 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL2537883 1.00 HTR1F (0.72) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2538050 0.92 HTR1F (0.76) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30909086 0.92 HTR1F (0.76) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL2531448 0.91 HTR1F (0.74) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30908898 0.88 HTR1F (0.66) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535869 0.88 HTR1F (0.66) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2537137 0.87 HTR1F (0.85) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30730002 0.87 HTR1F (0.85) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2537303 0.85 HTR1F (0.71) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2533689 0.85 HTR1F (0.61) HTR1FHTR1DCHRM5DRD5HTR1E

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