SCHEMBL24765656

SCHEMBL24765656

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

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HTR2C P28335 1/20 0.43
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL24163577 0.86 HTR2A (0.59) HTR2ATAAR1
SCHEMBL24765639 0.85 HTR2A (0.59) HTR2AHTR2CTAAR1
SCHEMBL24765899 0.85 HTR2A (0.59) HTR2AHTR2CTAAR1
SCHEMBL24765648 0.81 TAAR1 (0.43) HTR2ATAAR1
SCHEMBL11609586 0.80 HTR2A (0.50) HTR2ATAAR1
SCHEMBL24765647 0.80 HTR2A (0.50) HTR2AHTR2CTAAR1
Hydrochloric Acid SCHEMBL11612058 0.79 HTR2A (0.51) HTR2ATAAR1
Hydrochloric Acid SCHEMBL11612064 0.79 HTR2A (0.51) HTR2ATAAR1
SCHEMBL24765644 0.78 HTR2A (0.47) HTR2AHTR2CTAAR1
SCHEMBL24163572 0.78 HTR2A (0.70) HTR2AHTR2CTAAR1

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