SCHEMBL9354789

SCHEMBL9354789

O=[N+]([O-])C1c2ccccc2CC1c1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.33
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8865254 0.69 OPRM1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6689884 0.68 KDM1A (0.39) HTR2AHTR2CHTR2BHRH3GRIN2D
SCHEMBL5827252 0.68 ADRA1A (0.44) KMT2A
SCHEMBL6250927 0.67 ADRA1A (0.54) KMT2A
Hydrochloric Acid SCHEMBL8614363 0.66 ADRA1A (0.43) KMT2A
Hydrochloric Acid SCHEMBL8690420 0.66 KDM1A (0.50) HTR2AHTR2CHTR2BHRH3
SCHEMBL28513726 0.66 OPRM1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28478349 0.66 OPRM1 (0.36) MAPK1KMT2A
Hydrochloric Acid SCHEMBL28508991 0.65 OPRM1 (0.35) MAPK1KMT2A
SCHEMBL769063 0.64 ADRA1A (0.55) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618906-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ANTII SAKARI HAAPALINNA (FI) 1994-10-12 EP disclosed
WO-1993013074-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Orion-Yhtymä Oy (FI) 1993-07-08 WO disclosed