SCHEMBL25428141

SCHEMBL25428141

NC(CC1CCN(CCc2c[nH]c3ccc(F)cc23)C1)OC(=O)/C=C/C(=O)OC(N)CC1CCN(CCc2c[nH]c3ccc(F)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.50
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR1A P08908 2/20 0.45
SLC6A4 P31645 2/20 0.44
SOS1 Q07889 1/20 0.44

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
SCHEMBL8001659 0.80 MPO (0.62) MPOHTR1ASLC6A4
Fumaric Acid SCHEMBL25428144 0.77 MPO (0.53) MPOHTR1ASLC6A4SOS1
SCHEMBL25883864 0.75 HTR1D (0.68) MPOHTR1DHTR1BHTR1ASLC6A4
SCHEMBL14359185 0.74 HTR1A (0.69) MPOHTR1ASLC6A4
SCHEMBL10871086 0.73 MPO (0.53) MPOHTR1DHTR1BHTR1A
SCHEMBL8310233 0.72 HTR1A (0.60) MPOHTR1ASLC6A4
Oxalic Acid SCHEMBL9425948 0.71 SLC6A4 (0.51) SLC6A4
SCHEMBL8306212 0.71 HTR2A (0.55) HTR1ASLC6A4
SCHEMBL25884787 0.70 MPO (0.63) MPOHTR1ASLC6A4
SCHEMBL25311373 0.70 MPO (0.55) MPO

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