SCHEMBL24765902

SCHEMBL24765902

CCCCc1cc(OC)c(COC)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
ALOX5 P09917 5/20 0.49
PTGS2 P35354 4/20 0.47
TAAR1 Q96RJ0 3/20 0.47
HMGCR P04035 1/20 0.43

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
SCHEMBL24119648 0.90 HTR2A (0.61) HTR2AALOX5PTGS2TAAR1HMGCR
SCHEMBL17388702 0.83 TAAR1 (0.45) HTR2ATAAR1
SCHEMBL31035919 0.81 TAAR1 (0.72) HTR2ATAAR1
SCHEMBL19663956 0.80 HTR2A (0.49) HTR2AALOX5PTGS2TAAR1HMGCR
SCHEMBL29151839 0.79 HMGCR (0.65) HTR2AALOX5PTGS2TAAR1HMGCR
SCHEMBL23326313 0.79 HTR2A (0.66) HTR2ATAAR1
SCHEMBL29775337 0.79 HTR2A (0.66) HTR2ATAAR1
SCHEMBL7955089 0.79 HTR2A (0.52) HTR2ATAAR1HMGCR
SCHEMBL14655201 0.76 TAAR1 (0.50) HTR2AALOX5PTGS2TAAR1HMGCR
SCHEMBL27002092 0.76 TAAR1 (0.70) HTR2AALOX5PTGS2TAAR1

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-2022204323-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-09-29 WO disclosed