SCHEMBL25885809

SCHEMBL25885809

CN(CCO)CCc1c[nH]c2c(F)ccc(F)c12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.62
HTR2A P28223 6/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR6 P50406 2/20 0.38
DRD1 P21728 1/20 0.38
HTR1E P28566 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR5A P47898 1/20 0.38
MPO P05164 3/20 0.35
SLC6A4 P31645 2/20 0.35
PNP P00491 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL4401430 0.84 HTR1A (0.78) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25883538 0.83 HTR1A (0.49) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25883534 0.83 HTR1A (0.46) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25885648 0.82 HTR2A (0.72) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25882505 0.82 GPR84 (0.55) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25882719 0.81 HTR1A (0.53) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25882602 0.81 HTR1A (0.46) HTR1AHTR2AHTR2CHTR2BHTR1D
SCHEMBL25882823 0.80 HTR1A (0.46) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25882598 0.80 MPO (0.60) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25747524 0.77 HTR1A (1.00) HTR1AHTR2AHTR2CHTR2BHTR1D

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-2023141595-A2 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES, INC. (US) 2023-07-27 WO disclosed