SCHEMBL22249135

SCHEMBL22249135

NC12CC1CCN(CCc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1C(F)(F)F)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
ABL1 P00519 2/20 0.32
CYP3A4 P08684 2/20 0.32
BCR P11274 2/20 0.32
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
FLT3 P36888 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
SCHEMBL22249121 0.91 HTR2C (0.32)
SCHEMBL22248480 0.90 TRPV1 (0.32) TRPV1
Hydrochloric Acid SCHEMBL30276596 0.89 TRPV1 (0.32) TRPV1
Hydrochloric Acid SCHEMBL22235802 0.89 TRPV1 (0.32) TRPV1
SCHEMBL22254509 0.85 AOC3 (0.38) AOC3ABL1CYP3A4BCRMKNK1
SCHEMBL22249140 0.84 AOC3 (0.39) AOC3ABL1CYP3A4BCRMKNK1
SCHEMBL22254966 0.82 MKNK1 (0.40) AOC3ABL1CYP3A4BCRMKNK1
SCHEMBL22248331 0.82 AOC3 (0.37) AOC3ABL1CYP3A4BCRMKNK1
SCHEMBL22249030 0.81 HTR2A (0.31)
Hydrochloric Acid SCHEMBL22236121 0.81 HTR2A (0.31)

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