SCHEMBL6969109

SCHEMBL6969109

NC(=NCCc1ccccc1)c1cccc(Cc2c[nH]cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.55
GRIN1 Q05586 4/20 0.55
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE3A Q14432 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 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
SCHEMBL6961034 0.88 GRIN2B (0.57) GRIN2BGRIN1LMNATSHRHIF1A
SCHEMBL6970991 0.80 GRIN2B (0.51) GRIN2BGRIN1HTR3AHTR3EHTR3B
SCHEMBL6970727 0.77 PRSS1 (0.56) PRSS1PRSS2PRSS3
SCHEMBL6973014 0.76 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6969101 0.74 MPO (0.40) PRSS1PRSS2PRSS3SMN1; SMN2RAB9A
SCHEMBL8622924 0.72 HRH3 (0.54) GRIN2BGRIN1LMNATSHRHIF1A
SCHEMBL649075 0.72 ALDH1A1 (0.46) LMNATSHRADRA2ACYP2D6ADRA2B
SCHEMBL2102562 0.71 HRH3 (0.51) TDP1SMN1; SMN2L3MBTL1RAB9AHRH3
SCHEMBL31060957 0.71 HRH3 (0.55) CYP2D6HRH4HRH3
SCHEMBL2105133 0.70 PNMT (0.43) HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed