SCHEMBL23936834

SCHEMBL23936834

CC(=O)C1CCN(CCN)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.51
GNAO1 P09471 2/20 0.51
GNAI1 P63096 2/20 0.51
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
PRMT3 O60678 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL14621739 0.89 GNAI3 (0.46) GNAI3GNAO1GNAI1SMN1; SMN2POLB
SCHEMBL10697944 0.82 SMN1; SMN2 (0.49) GNAI3GNAO1GNAI1SMN1; SMN2KCNH2
SCHEMBL10064192 0.82 SMN1; SMN2 (0.62) GNAI3GNAO1GNAI1ALOX15SMN1; SMN2
SCHEMBL13136026 0.82 SMN1; SMN2 (0.42) GNAI3GNAO1GNAI1SMN1; SMN2POLB
SCHEMBL1077689 0.82 GNAI3 (0.49) GNAI3GNAO1GNAI1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL27483975 0.80 GNAI3 (0.51) GNAI3GNAO1GNAI1ALOX15SMN1; SMN2
SCHEMBL12227016 0.79 GNAI3 (0.58) GNAI3GNAO1GNAI1ALOX15SMN1; SMN2
SCHEMBL19488417 0.79 SMN1; SMN2 (0.53) GNAI3GNAO1GNAI1ALOX15SMN1; SMN2
SCHEMBL19267939 0.79 GNAI3 (0.48) GNAI3GNAO1GNAI1ALOX15SMN1; SMN2
SCHEMBL10079962 0.78 KCNH2 (0.51) GNAI3GNAO1GNAI1SMN1; SMN2KCNH2

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
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed