SCHEMBL24765867

SCHEMBL24765867

CCOc1cc(C(C)(F)F)c(OCC)cc1CC(N)CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.35
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL24765865 0.93 TAAR1 (0.42) HTR2ATAAR1
SCHEMBL24765871 0.93 HTR2A (0.40) HTR2ATAAR1
SCHEMBL24765649 0.90 HTR2A (0.40) HTR2A
SCHEMBL24765863 0.86 HTR2A (0.34) HTR2ATAAR1
SCHEMBL24765644 0.84 HTR2A (0.47) HTR2ATAAR1
SCHEMBL24765647 0.83 HTR2A (0.50) HTR2ATAAR1
SCHEMBL24765654 0.83 HTR2A (0.50) HTR2ATAAR1
SCHEMBL24765870 0.81 TAAR1 (0.41) HTR2ATAAR1
SCHEMBL24765861 0.81 HTR2A (0.39) HTR2ATAAR1
SCHEMBL11739409 0.80 TAAR1 (0.50) HTR2ATAAR1

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