SCHEMBL30909274

SCHEMBL30909274

CN1CCC(C(=O)c2cccc(NC(=O)c3cccnc3Sc3ccccc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.56
HTR1D P28221 3/20 0.54
CHRM5 P08912 1/20 0.54
DRD5 P21918 1/20 0.54
HTR1E P28566 1/20 0.54
HTR7 P34969 1/20 0.54
OPRK1 P41145 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 4/20 0.47
ATM Q13315 1/20 0.44
HTR1A P08908 2/20 0.44
HTR1B P28222 2/20 0.44
KDM4A O75164 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
P2RX7 Q99572 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2533654 1.00 HTR1F (0.56) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2539998 0.81 HTR1F (0.58) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30908944 0.81 HTR1F (0.58) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30908866 0.80 HTR1F (0.66) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL30908898 0.80 HTR1F (0.66) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535869 0.80 HTR1F (0.66) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535191 0.80 HTR1F (0.66) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2536410 0.79 HTR1F (0.60) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL2535124 0.79 HTR1F (0.65) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL27614751 0.79 HTR1F (0.72) 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