SCHEMBL30909170

SCHEMBL30909170

CN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3Oc3ccccc3)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 8/20 0.62
SIGMAR1 Q99720 2/20 0.57
CHRM5 P08912 1/20 0.57
DRD5 P21918 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1E P28566 1/20 0.57
HTR7 P34969 1/20 0.57
OPRK1 P41145 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 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
SCHEMBL2535447 1.00 HTR1F (0.62) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL30908944 0.87 HTR1F (0.58) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL2539998 0.87 HTR1F (0.58) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL2533710 0.86 HTR1F (0.60) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL2536423 0.86 HTR1F (0.62) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL30909232 0.86 HTR1F (0.62) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL30909047 0.85 HTR1F (0.59) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL2537340 0.85 HTR1F (0.59) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL2531439 0.85 HTR1F (0.64) HTR1FSIGMAR1CHRM5DRD5HTR1D
SCHEMBL30909063 0.85 HTR1F (0.64) HTR1FSIGMAR1CHRM5DRD5HTR1D

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