SCHEMBL30909294

SCHEMBL30909294

CN1CC=C(c2c[nH]c3ccc(NCc4ccc5ncccc5c4)nc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.44
KDR P35968 2/20 0.42
SLC6A4 P31645 5/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.41
ALOX15 P16050 1/20 0.41
HTR6 P50406 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHKA P35790 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
SCHEMBL7008254 1.00 HTR1F (0.44) HTR1FKDRSLC6A4KDM4ELMNA
SCHEMBL30908825 0.79 HTR1F (0.48) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7007191 0.79 HTR1F (0.48) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7101114 0.78 HTR1F (0.55) HTR1FHTR1AHTR6
SCHEMBL30909240 0.78 HTR1F (0.55) HTR1FHTR1AHTR6
SCHEMBL7014305 0.78 HTR1F (0.47) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL30908999 0.78 HTR1F (0.47) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7012821 0.78 HTR1F (0.47) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL30908981 0.78 HTR1F (0.47) HTR1FSLC6A4KDM4ELMNAPOLB
SCHEMBL7010491 0.77 HTR1F (0.49) HTR1FSLC6A4KDM4ELMNAPOLB

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