SCHEMBL7366724

SCHEMBL7366724

NCc1ccc2c(c1)OCCC2O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.59
BDKRB1 P46663 2/20 0.39
CD274 Q9NZQ7 1/20 0.38
HTR1A P08908 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A4 P31645 3/20 0.37
CSNK2A1 P68400 2/20 0.35
ABAT P80404 1/20 0.34
ENPP2 Q13822 1/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NCF1 P14598 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL4751498 0.84 MAP3K14 (0.59) MAP3K14HTR1ACYP2D6SLC6A4LTB4R
SCHEMBL19646975 0.80 MAP3K14 (0.55) MAP3K14HTR1ACYP2D6SLC6A4LTB4R
SCHEMBL16137573 0.78 MAP3K14 (0.65) MAP3K14HTR1ACYP2D6SLC6A4
SCHEMBL14064253 0.77 BDKRB1 (0.44) MAP3K14BDKRB1CD274HTR1ASLC6A4
SCHEMBL1111009 0.76 MAP3K14 (0.67) MAP3K14
SCHEMBL14183091 0.76 MAP3K14 (0.67) MAP3K14
SCHEMBL13614279 0.76 MAP3K14 (0.50) MAP3K14HTR1ACYP2D6SLC6A4HRH3
SCHEMBL12501454 0.75 MAP3K14 (0.65) MAP3K14HTR1ACYP2D6SLC6A4
SCHEMBL3556913 0.75 MAP3K14 (0.65) MAP3K14HTR1A
SCHEMBL22143947 0.75 MAP3K14 (0.65) MAP3K14HTR1A

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
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed