SCHEMBL27360635

SCHEMBL27360635

CCN(CC)C(=O)C(/C=C1\CCc2c(Br)[nH]c3cccc1c23)CNC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
HTR6 P50406 3/20 0.42
DRD2 P14416 2/20 0.33
DRD1 P21728 1/20 0.33
PARP1 P09874 2/20 0.33
HTR1A P08908 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1E P28566 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
HTR5A P47898 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL27346755 0.85 HTR7 (0.42) HTR7HTR6DRD2DRD1PARP1
SCHEMBL25891565 0.80 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL24635653 0.73 HTR2A (0.39) HTR7HTR6DRD2DRD1PARP1
SCHEMBL24635743 0.70 HTR2A (0.39) HTR7HTR6DRD2DRD1PARP1
SCHEMBL25894881 0.69 HTR2A (0.43) HTR7HTR6HTR2AHTR2CHTR2B
SCHEMBL25895075 0.68 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL24635493 0.68 TACR1 (0.39) HTR7HTR6DRD2DRD1HTR1A
SCHEMBL25896512 0.66 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL27015313 0.63 PARP1 (0.43) HTR7HTR6DRD2DRD1PARP1
SCHEMBL25277891 0.60 HTR2A (0.68) HTR7HTR6DRD2DRD1HTR1A

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-2024145546-A1 PROCESS FOR SYNTHESIZING 2-BROMOLYSERGIC ACID DIETHYLAMIDE VIA CONTROLLED BROMINATION OF LYSERGIC ACID CERUVIA LIFESCIENCES LLC (US) 2024-07-04 WO disclosed