SCHEMBL8698533

SCHEMBL8698533

CCc1nccn1-c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.49
PDE4B Q07343 5/20 0.49
PDE4C Q08493 5/20 0.49
PDE4D Q08499 5/20 0.49
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX15B O15296 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
VHL P40337 1/20 0.42
ELOC Q15369 1/20 0.42
ELOB Q15370 1/20 0.42
CYP19A1 P11511 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL8702160 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL11375358 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP1A2
Bromide SCHEMBL11377758 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8700995 0.80 TSHR (0.42) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7802849 0.79 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8429953 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL8830212 0.79 CYP3A4 (0.54) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL29079482 0.78 NR4A1 (0.60) PDE4APDE4BPDE4CPDE4DNR4A1
SCHEMBL11382721 0.77 CYP1A2 (0.49) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10899860 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO disclosed