SCHEMBL26055709

SCHEMBL26055709

c1cc2c(cc1CCNCC1CC1)OCS2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.34
CXCR4 P61073 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL24988528 0.79 MAPT (0.44) KDM4ETSHRMAPK1POLBMAPT
SCHEMBL1969756 0.77 POLB (0.56) KDM4ETSHRMAPK1MEN1KMT2A
SCHEMBL1966433 0.77 LMNA (0.50) KDM4ETSHRMEN1KMT2ATDP1
SCHEMBL1967416 0.74 SMYD3 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL31143752 0.73 CNR1 (0.38)
SCHEMBL25371172 0.73 TAAR1 (0.54) KDM4EMAPK1TDP1MAPT
SCHEMBL14612463 0.70 CTSL (0.39) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1970889 0.69 CNR1 (0.43) CXCR4
SCHEMBL1967603 0.68 NPY5R (0.56) NPY5R
SCHEMBL9326961 0.68 AKR1B1 (0.45) KDM4ETSHRMEN1KMT2ATDP1

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-2023156453-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 WO disclosed