SCHEMBL29958302

SCHEMBL29958302

c1cc2c3c(ccc2o1)CCCO3

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
NFKB1 P19838 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL3633037 0.89 HTR2A (0.46) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL18527205 0.72 HTR2A (0.36) HTR2AHTR2CHTR2BNFKB1MAOA
SCHEMBL13983903 0.72 HTR2C (0.66) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL29395407 0.71 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL1971305 0.69 NFKB1 (0.40) NFKB1
SCHEMBL29910203 0.69 NFKB1 (0.40) NFKB1
SCHEMBL13714753 0.69 HTR2A (0.39) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL15647885 0.67 LMNA (0.39)
SCHEMBL23804865 0.67 HTR2A (0.42) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL29952349 0.67 TAAR1 (0.33) HTR2AHTR2CHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed