SCHEMBL23947755

SCHEMBL23947755

CCC1(C=O)CCCCC(C(=O)CN2CCc3sccc3C2c2ccccc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 6/20 0.45
LHCGR P22888 3/20 0.37
CNR1 P21554 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL25050849 0.85 HHAT (0.54) HHATLHCGRCNR1MAPK1NPSR1
SCHEMBL23948167 0.83 HHAT (0.56) HHATLHCGRCNR1MAPK1NPSR1
SCHEMBL24419736 0.82 HHAT (0.55) HHATLHCGRCNR1MAPK1NPSR1
SCHEMBL24419937 0.82 HHAT (0.55) HHATLHCGRCNR1MAPK1NPSR1
SCHEMBL23948085 0.81 HHAT (0.49) HHATLHCGRCNR1MAPK1NPSR1
SCHEMBL25050848 0.70 HDAC8 (0.65) HHATMAPK1NPSR1HDAC8
SCHEMBL23947756 0.69 HDAC8 (0.60) HHATHDAC8
SCHEMBL25047674 0.68 HDAC8 (0.58) HHATMAPK1NPSR1HDAC8
SCHEMBL24419737 0.68 HDAC8 (0.58) HHATHDAC8
SCHEMBL24419940 0.66 HHAT (0.52) HHATLHCGR

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-2021212010-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-10-21 WO disclosed