SCHEMBL9519469

SCHEMBL9519469

CCCC[C@@H](N)CCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CYP2A6 P11509 1/20 0.56
HRH1 P35367 2/20 0.53
CHRNA7 P36544 2/20 0.50
PTAFR P25105 1/20 0.46
TBXAS1 P24557 7/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL4957930 1.00 TDP1 (0.68) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL7449255 0.94 TDP1 (0.63) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL9522064 0.94 TDP1 (0.63) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL3927981 0.92 CYP2A6 (0.65) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL9521156 0.89 TDP1 (0.60) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL4960229 0.89 TDP1 (0.60) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL9523004 0.89 TDP1 (0.60) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL681571 0.83 TDP1 (0.89) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL3244065 0.82 CYP2A6 (0.61) TDP1L3MBTL1CYP2A6HRH1CHRNA7
SCHEMBL8975209 0.82 CYP2A6 (0.61) TDP1L3MBTL1CYP2A6HRH1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists 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
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