SCHEMBL5786004

SCHEMBL5786004

CC(O)CCc1nc(CCN)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.30
MIF P14174 1/20 0.30
TSHR P16473 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL5785999 0.76
Hydrochloric Acid SCHEMBL8992515 0.76 HRH4 (0.36) LMNAMIFTSHRHRH2HRH1
SCHEMBL4720914 0.75 HRH4 (0.35) LMNAMIFTSHRHRH2HRH1
SCHEMBL28295612 0.75 NOS3 (0.41) HRH4HRH3
SCHEMBL3019488 0.75 HRH1 (0.56) HRH1
SCHEMBL22783595 0.75 HRH4 (0.38) LMNAMIFTSHRHRH2HRH1
SCHEMBL28861085 0.75 HRH3 (0.38) ALDH1A1MAPK1LMNAMIFTSHR
Bromide SCHEMBL28670044 0.73 HRH3 (0.37) ALDH1A1MAPK1LMNAMIFTSHR
SCHEMBL11448189 0.72 HRH2 (0.35) LMNAMIFTSHRHRH2HRH1
Bromide SCHEMBL29291042 0.71 HTR2A (0.43) ALDH1A1

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-1689391-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005021519-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2005-03-10 WO disclosed