SCHEMBL22868097

SCHEMBL22868097

CCCC1CC(N)c2ccc(C)cc2S1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL9786958 0.80 SLC6A2 (0.33) HTR2CHTR2B
SCHEMBL22867762 0.69 HSD17B2 (0.43) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL22868095 0.68 KDM4E (0.40)
SCHEMBL9786894 0.67 SLC6A2 (0.34) HTR2AHTR2CHTR2B
SCHEMBL12253322 0.65 NOS3 (0.34) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL28302528 0.64 KDM4E (0.31)
SCHEMBL13070499 0.64 ACHE (0.38) HTR2CCHRNB2CHRNA4
SCHEMBL15896883 0.62 ACHE (0.35)
SCHEMBL28226012 0.60 CHRNB2 (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL24446325 0.59 HTR2C (0.40) HTR2CCHRNB2CHRNA4

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-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed