SCHEMBL8409246

SCHEMBL8409246

CCC1(C(=O)Oc2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.61
GRM5 P41594 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR3C2 P08235 5/20 0.38
MCHR1 Q99705 3/20 0.37
PORCN Q9H237 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL8408934 0.99 ALOX5 (0.60) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7811046 0.81 ALOX5 (0.86) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7809126 0.81 ALOX5 (0.84) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7802752 0.79 ALOX5 (0.85) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7802468 0.79 ALOX5 (0.84) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL8781540 0.77 ALOX5 (0.55) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7815037 0.76 ALOX5 (1.00) ALOX5
SCHEMBL8781543 0.75 ALOX5 (0.61) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7811849 0.75 ALOX5 (0.81) ALOX5GRM5CYP3A4CYP2D6CYP1A2
SCHEMBL7807535 0.74 ALOX5 (0.87) ALOX5

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-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed