SCHEMBL22236155

SCHEMBL22236155

O=C(O)NC1CC2CNCC21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.42
CHRNA4 P43681 15/20 0.42
CHRNB4 P30926 13/20 0.42
CHRNA3 P32297 13/20 0.42
CHRNA7 P36544 12/20 0.42
PKM P14618 1/20 0.36
SSTR4 P31391 1/20 0.33
CCR5 P51681 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5649655 0.82 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2416817 0.82 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9125401 0.80 HPSE (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24322651 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24322580 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16030792 0.79 SSTR4 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16030794 0.79 SSTR4 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16030790 0.79 SSTR4 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3815673 0.79 SSTR4 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7241323 0.77 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911643-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 EP disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed