SCHEMBL28467255

SCHEMBL28467255

O=[N+]([O-])c1ccc2[nH]c(C3CNCCO3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
HRH4 Q9H3N8 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.38
NOS1 P29475 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL28082050 0.77 TAAR1 (0.53)
SCHEMBL9704857 0.76 DRD2 (0.50) SLC6A4HTR2ADRD2DRD3
SCHEMBL2295207 0.74 DRD2 (0.47) DRD2DRD3
SCHEMBL5118709 0.74 DRD2 (0.47) DRD2DRD3
SCHEMBL1465497 0.74 CYP19A1 (0.52) CYP19A1HRH4POLBMAPTMAOB
SCHEMBL2295355 0.74 DRD2 (0.47) DRD2DRD3
SCHEMBL1336667 0.73 CHRNB4 (0.45) CHRNB4CHRNA3
SCHEMBL27949769 0.73 HTT (0.49) MAPTALDH1A1SLC6A4CHRNB4CHRNA3
SCHEMBL5058415 0.73 DRD2 (0.59) MAPTALDH1A1DRD2DRD3
SCHEMBL29145845 0.72 ALDH1A1 (0.44) HTR3EHTR3BALDH1A1CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115341017-A Kit and detection method for rapidly detecting gene variation based on lighted click connection probe 中国人民解放军陆军特色医学中心 2022-11-15 CN claimed
CN-115341017-A Kit and detection method for rapidly detecting gene variation based on lighted click connection probe 中国人民解放军陆军特色医学中心 2022-11-15 CN disclosed
CN-111615561-A Oligonucleotide probe for detecting single nucleotide polymorphism and cis-trans discrimination method 荣研化学株式会社 2020-09-01 CN disclosed