SCHEMBL22249140

SCHEMBL22249140

O=C(Nc1ccn(-c2ccc(CCN3CC4CC4C3)c(C(F)(F)F)c2)c(=O)n1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
TRPV1 Q8NER1 1/20 0.33
FLT3 P36888 3/20 0.33
MAOB P27338 1/20 0.33
ADORA1 P30542 1/20 0.33
MKNK1 Q9BUB5 4/20 0.32
MKNK2 Q9HBH9 4/20 0.32
ABL1 P00519 2/20 0.32
CYP3A4 P08684 2/20 0.32
BCR P11274 2/20 0.32
FAAH O00519 2/20 0.32
CACNA1H O95180 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
HTR2C P28335 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL22254509 0.86 AOC3 (0.38) AOC3TRPV1FLT3MAOBADORA1
SCHEMBL22249135 0.84 AOC3 (0.37) AOC3TRPV1FLT3MKNK1MKNK2
SCHEMBL22249136 0.83 AOC3 (0.37) AOC3TRPV1FLT3MKNK1MKNK2
SCHEMBL22249126 0.83 AOC3 (0.37) AOC3TRPV1FLT3MKNK1MKNK2
SCHEMBL22254966 0.82 MKNK1 (0.40) AOC3FLT3MKNK1MKNK2ABL1
SCHEMBL22248331 0.82 AOC3 (0.37) AOC3TRPV1MAOBADORA1MKNK1
SCHEMBL22235345 0.82 FAAH (0.35) AOC3TRPV1FLT3MKNK1MKNK2
SCHEMBL30276593 0.79 TRPV1 (0.35) AOC3TRPV1FLT3CACNA1HPIK3C3
SCHEMBL30276642 0.79 MKNK1 (0.34) AOC3FLT3MKNK1MKNK2ABL1
SCHEMBL22248693 0.78 MAOB (0.36) AOC3MAOBADORA1FAAHKCNJ1

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed