SCHEMBL24723815

SCHEMBL24723815

COc1ccc2[nH]cc(CCN3CCCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.97
HTR1A P08908 7/20 0.77
HTR1D P28221 4/20 0.67
HTR1B P28222 4/20 0.67
MPO P05164 1/20 0.66
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
CYP2D6 P10635 1/20 0.63
CYP1A2 P05177 1/20 0.63
MAPT P10636 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
HTR2C P28335 1/20 0.63
HTR7 P34969 1/20 0.63
HTR6 P50406 1/20 0.63
HTR4 Q13639 1/20 0.63

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
SCHEMBL29633130 1.00 HTR2A (0.97) HTR2AHTR1AHTR1DHTR1BMPO
SCHEMBL32669310 0.99 HTR2A (1.00) HTR2AHTR1AHTR1DHTR1BMPO
SCHEMBL25249411 0.97 HTR2A (1.00) HTR2AHTR1AHTR1DHTR1BMPO
SCHEMBL1376615 0.90 HTR2A (0.81) HTR2AHTR1AHTR1DHTR1BADRA2A
SCHEMBL32669201 0.90 HTR2A (0.79) HTR2AHTR1AHTR1DHTR1BMPO
SCHEMBL29993213 0.89 HTR2A (0.80) HTR2AHTR1AHTR1DHTR1BADRA2A
SCHEMBL24723184 0.89 HTR2A (0.80) HTR2AHTR1AHTR1DHTR1BADRA2A
Fumaric Acid SCHEMBL25247007 0.88 HTR2A (0.81) HTR2AHTR1AMPOADRA2AADRA2B
SCHEMBL29992781 0.87 HTR2A (0.76) HTR2AHTR1AHTR1DHTR1BADRA2A
SCHEMBL32669282 0.87 HTR2A (0.77) HTR2AHTR1AHTR1DHTR1BADRA2A

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-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed