SCHEMBL22249151

SCHEMBL22249151

C=C(N1CCNCC1)C(C)(C)N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CHKA P35790 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 1/20 0.35
PHGDH O43175 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL8986538 0.79 CA2 (0.36) CA2CHKACA12CA1CA9
SCHEMBL18912338 0.74 CA2 (0.45) CA2CHKACA12CA1CA9
SCHEMBL29322932 0.73 CA2 (0.41) CA2CHKACA12CA1CA9
SCHEMBL21240931 0.72 HPGD (0.38) CA2CHKACA12CA1CA9
SCHEMBL8203057 0.71 CA2 (0.33) CA2CHKACA12CA1CA9
SCHEMBL22248571 0.69 GAA (0.41) CA2CHKACA12CA1CA9
SCHEMBL8267139 0.69
SCHEMBL610815 0.69
SCHEMBL16796447 0.68 CA2 (0.38) CA2CHKACA12CA1CA9
SCHEMBL18914399 0.68 CHRNB2 (0.40) CA2CHKACA12CA1CA9

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