SCHEMBL10398014

SCHEMBL10398014

NCCCCc1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
HRH1 P35367 5/20 0.46
MAOA P21397 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CXCR4 P61073 1/20 0.46
HTR1B P28222 2/20 0.45
CYP2A6 P11509 2/20 0.43
ACHE P22303 1/20 0.43
PLG P00747 1/20 0.40
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL3250398 0.91 PLAU (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL18154032 0.89 PLAU (0.48) PLAUF12NCF1NOS3NOS1
Bromide SCHEMBL18154039 0.87 PLAU (0.47) PLAUF12NCF1NOS3NOS1
SCHEMBL2307025 0.87 PLAU (0.52) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL11152119 0.87 PLAU (0.47) PLAUF12NCF1NOS3NOS1
SCHEMBL29986248 0.87 PLAU (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL3248709 0.87 PLAU (0.50) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL3723431 0.86 PLAU (0.50) PLAUF12NCF1NOS3NOS1
SCHEMBL31122674 0.85 PLAU (0.48) PLAUF12NCF1NOS3NOS1
SCHEMBL1445714 0.83 ACHE (0.41) PLAUF12NCF1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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