SCHEMBL25892140

SCHEMBL25892140

CCCCCCC(=O)n1c(Br)c2c3c(cccc31)C1=C[C@@H](C(=O)N(CC)CC)CN(C)[C@@H]1C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.73
HTR2C P28335 4/20 0.73
HTR2B P41595 3/20 0.73
HTR7 P34969 3/20 0.61
HTR6 P50406 3/20 0.61
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.53
HRH1 P35367 2/20 0.53
DRD3 P35462 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1E P28566 1/20 0.53
HTR5A P47898 1/20 0.53
CXCR3 P49682 2/20 0.48
DRD1 P21728 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL25892137 0.99 HTR2A (0.74) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25892055 0.97 HTR2A (0.75) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25318601 0.93 HTR2A (0.77) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25894265 0.90 HTR2A (0.80) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL30797757 0.90 HTR2A (0.80) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25314909 0.90 HTR2A (0.80) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25891033 0.89 HTR2A (0.74) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25891032 0.89 HTR2A (0.74) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25893446 0.89 HTR2A (0.71) HTR2AHTR2CHTR2BHTR7HTR6
SCHEMBL25316754 0.88 HTR2A (0.77) HTR2AHTR2CHTR2BHTR7HTR6

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-2023141636-A1 PRODRUGS OF 2-BROMO-LSD (2-BROMOLYSERGIC ACID DIETHYLAMIDE) TERRAN BIOSCIENCES INC. (US) 2023-07-27 WO disclosed