SCHEMBL22248331

SCHEMBL22248331

NCC12C=C1CN(CCc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1C(F)(F)F)C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
MAOB P27338 1/20 0.34
ADORA1 P30542 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
ABL1 P00519 1/20 0.30
CYP3A4 P08684 1/20 0.30
BCR P11274 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL22249140 0.82 AOC3 (0.39) AOC3MAOBADORA1TRPV1ABL1
SCHEMBL22249135 0.82 AOC3 (0.37) AOC3TRPV1ABL1CYP3A4BCR
SCHEMBL22254509 0.81 AOC3 (0.38) AOC3MAOBADORA1TRPV1ABL1
SCHEMBL22254966 0.78 MKNK1 (0.40) AOC3ABL1CYP3A4BCRMKNK1
SCHEMBL22249126 0.77 AOC3 (0.37) AOC3TRPV1ABL1CYP3A4BCR
SCHEMBL22249136 0.77 AOC3 (0.37) AOC3TRPV1ABL1CYP3A4BCR
SCHEMBL22235345 0.74 FAAH (0.35) AOC3TRPV1ABL1CYP3A4BCR
SCHEMBL22248302 0.74 F10 (0.32)
SCHEMBL30276593 0.74 TRPV1 (0.35) AOC3TRPV1
Hydrochloric Acid SCHEMBL30276479 0.73 TRPV1 (0.31) TRPV1

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