SCHEMBL22248571

SCHEMBL22248571

CC(C)(N)CC(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHKA P35790 1/20 0.39
HPGD P15428 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35

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
SCHEMBL1829291 0.84 CA2 (0.43) GAACA2CA12CA1CA9
SCHEMBL12583186 0.82 GAA (0.42) GAACA2CA12CA1CA9
SCHEMBL2399318 0.82 ATM (0.46) GAADPP4KMT2A
SCHEMBL3318512 0.81 GAA (0.40) GAACA2CA12CA1CA9
Hydrochloric Acid SCHEMBL29165308 0.81 HPGD (0.42) GAACA2CA12CA1CA9
SCHEMBL27512239 0.81 GAA (0.41) GAACA2CA12CA1CA9
SCHEMBL2214035 0.80 MEN1 (0.46) GAAKMT2A
SCHEMBL12335992 0.79 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL701798 0.79 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL24528879 0.79 GAA (0.38) GAACA2CA12CA1CA9

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