SCHEMBL8694707

SCHEMBL8694707

COC1CCOC(c2c(F)cccc2OCc2ccc(-n3ccnc3C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.44
KDM1A O60341 2/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MCHR1 Q99705 2/20 0.36
NR3C2 P08235 3/20 0.35
GRM5 P41594 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8698238 0.90 ALOX5 (0.44) ALOX5KDM1AHTR1ASLC6A2SLC6A4
SCHEMBL8701075 0.83 ALOX5 (0.49) ALOX5MCHR1NR3C2GRM5CYP1A2
Hydrochloric Acid SCHEMBL8694723 0.83 ALOX5 (0.41) ALOX5MCHR1NR3C2GRM5CYP1A2
Hydrochloric Acid SCHEMBL8697471 0.82 ALOX5 (0.44) ALOX5MCHR1NR3C2GRM5CYP1A2
Hydrochloric Acid SCHEMBL8700999 0.82 ALOX5 (0.48) ALOX5MCHR1NR3C2GRM5CYP1A2
SCHEMBL8701027 0.81 ALOX5 (0.46) ALOX5MCHR1NR3C2GRM5CYP1A2
Hydrochloric Acid SCHEMBL8701045 0.81 ALOX5 (0.47) ALOX5MCHR1NR3C2GRM5CYP1A2
Hydrochloric Acid SCHEMBL8696302 0.80 ALOX5 (0.48) ALOX5MCHR1NR3C2GRM5CYP1A2
SCHEMBL8698136 0.80 ALOX5 (0.56) ALOX5MCHR1NR3C2GRM5CYP1A2
Hydrochloric Acid SCHEMBL8695817 0.79 ALOX5 (0.55) ALOX5MCHR1NR3C2GRM5CYP1A2

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
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed