SCHEMBL7181929

SCHEMBL7181929

O=C(O)NCc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.84
PTGER2 P43116 2/20 0.69
MAPK8 P45983 1/20 0.50
LIPG Q9Y5X9 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK14 Q16539 1/20 0.48
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4450937 0.91 PTGER4 (1.00) PTGER4PTGER2MAPK8CYP3A4MAPK14
SCHEMBL4085505 0.89 PTGER4 (0.77) PTGER4PTGER2MAPK8LIPGCYP3A4
Hydrochloric Acid SCHEMBL6908368 0.89 PTGER4 (0.77) PTGER4PTGER2MAPK8LIPGCYP3A4
SCHEMBL13954366 0.88 PTGER4 (0.76) PTGER4PTGER2MAPK8LIPGCYP3A4
SCHEMBL4448313 0.87 PTGER4 (0.78) PTGER4PTGER2LIPGKMT2ACYP1A2
SCHEMBL4087663 0.87 PTGER4 (0.74) PTGER4PTGER2MAPK8LIPGKMT2A
SCHEMBL4455024 0.87 PTGER4 (0.74) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4092310 0.87 PTGER4 (0.81) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL4450413 0.87 PTGER4 (0.81) PTGER4PTGER2LIPGCYP3A4MAPK14
SCHEMBL6908965 0.85 PTGER4 (0.71) PTGER4PTGER2LIPGCYP3A4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003068234-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed