SCHEMBL7803002

SCHEMBL7803002

Cc1c(-c2cccnc2)n(CCCCCCN(O)C(N)=O)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.70
CYP11B2 P19099 2/20 0.51
MAPT P10636 1/20 0.42
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
ACHE P22303 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
HRH1 P35367 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
SCHEMBL7803168 0.88 TBXAS1 (0.54) TBXAS1CYP11B2MAPTMAOAMAOB
SCHEMBL7803145 0.88 TBXAS1 (0.55) TBXAS1CYP11B2MAPTMAOA
SCHEMBL7811339 0.88 TBXAS1 (0.55) TBXAS1CYP11B2MAPT
SCHEMBL7811601 0.88 TBXAS1 (0.55) TBXAS1CYP11B2MAPT
SCHEMBL7803024 0.87 TBXAS1 (0.53) TBXAS1CYP11B2MAPTMAOAMAOB
SCHEMBL11006075 0.83 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL11009473 0.83 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL3513494 0.83 TBXAS1 (1.00) TBXAS1CYP11B2MAPT
SCHEMBL11009385 0.82 TBXAS1 (0.85) TBXAS1CYP11B2MAPTMAOAMAOB
SCHEMBL11014108 0.82 TBXAS1 (0.76) TBXAS1CYP11B2MAPTMAOAMAOB

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
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed