SCHEMBL29756649

SCHEMBL29756649

CN(C)CC#Cc1ccc(C2=CCN(CCC(C)(C(=O)NOC3CCCCO3)S(C)(=O)=O)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.31
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL19989630 1.00 HTR1D (0.31) HTR1DHTR1ADRD4MEN1KMT2A
SCHEMBL20001448 0.90 HTR1D (0.31) HTR1DHTR1ADRD4MEN1KMT2A
SCHEMBL19989657 0.88 HTR1D (0.30) HTR1DHTR1ADRD4
SCHEMBL23735092 0.86 HTR1D (0.31) HTR1DHTR1ADRD4
SCHEMBL29756593 0.85
SCHEMBL19989677 0.85
SCHEMBL19989641 0.83 SIGMAR1 (0.36) HTR1ASIGMAR1
SCHEMBL20025454 0.83 SIGMAR1 (0.37) HTR1DHTR1ASIGMAR1
SCHEMBL19989702 0.83 SIGMAR1 (0.37) SIGMAR1
SCHEMBL29756641 0.83 SIGMAR1 (0.37) SIGMAR1

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
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed