SCHEMBL29905978

SCHEMBL29905978

c1noc([C@H]2CCNC2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
HTR3A P46098 1/20 0.38
HPGDS O60760 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH2 P25021 1/20 0.32

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
SCHEMBL8844196 1.00 MPO (0.40) MPOHTR3AHPGDSHRH4HRH3
SCHEMBL29905984 1.00 MPO (0.40) MPOHTR3AHPGDSHRH4HRH3
SCHEMBL1726837 0.89 CHEK1 (0.37) HPGDS
SCHEMBL16797026 0.89 NR1H4 (0.38) HRH4HRH3
SCHEMBL1886428 0.71 SLC6A2 (0.36)
SCHEMBL14683720 0.70 MPO (0.40) MPOHTR3AHPGDS
SCHEMBL904372 0.70 CHRNB4 (0.41) HTR3A
SCHEMBL12255455 0.67 MPO (0.43) MPOHTR3A
SCHEMBL2281013 0.67 HTR3A (0.46) MPOHTR3A
SCHEMBL12255456 0.67 NOTUM (0.46) MPOHTR3A

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-2022211595-A1 OXADIAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엘지화학 2022-10-06 WO disclosed