SCHEMBL7803183

SCHEMBL7803183

CCC(O)CCCc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP2A6 P11509 1/20 0.53
TBXAS1 P24557 7/20 0.50
HRH1 P35367 2/20 0.50
CHRNA7 P36544 2/20 0.47
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PTAFR P25105 1/20 0.44

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
SCHEMBL9522636 1.00 TDP1 (0.60) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL6950753 0.90 TDP1 (0.54) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL10034621 0.90 TDP1 (0.54) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL3923399 0.90 CYP2A6 (0.59) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL7692528 0.89 TDP1 (0.63) TDP1L3MBTL1CYP2A6TBXAS1HRH1
Ammonia Solution, Strong SCHEMBL6014385 0.89 TDP1 (0.53) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL7384270 0.85 TBXAS1 (0.55) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL7549229 0.85 TBXAS1 (0.55) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL7164881 0.83 TDP1 (0.59) TDP1L3MBTL1CYP2A6TBXAS1HRH1
SCHEMBL9520426 0.83 TDP1 (0.59) TDP1L3MBTL1CYP2A6TBXAS1HRH1

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 12 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
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US disclosed