SCHEMBL24765648

SCHEMBL24765648

CCC(N)Cc1cc(SC)c(C)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
HTR2A P28223 1/20 0.41

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
SCHEMBL5291279 0.85 HTR2A (0.60) TAAR1HTR2A
SCHEMBL5291270 0.85 HTR2A (0.60) TAAR1HTR2A
SCHEMBL11609586 0.85 HTR2A (0.50) TAAR1HTR2A
Hydrochloric Acid SCHEMBL11612064 0.84 HTR2A (0.51) TAAR1HTR2A
Hydrochloric Acid SCHEMBL11612058 0.84 HTR2A (0.51) TAAR1HTR2A
Dimoxamine SCHEMBL43489 0.83 TAAR1 (0.54) TAAR1HTR2A
Dimoxamine SCHEMBL29543489 0.83 TAAR1 (0.54) TAAR1HTR2A
Dimoxamine SCHEMBL29633087 0.83 TAAR1 (0.54) TAAR1HTR2A
Dimoxamine SCHEMBL896149 0.83 TAAR1 (0.54) TAAR1HTR2A
Dimoxamine SCHEMBL894999 0.83 TAAR1 (0.54) TAAR1HTR2A

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