SCHEMBL30459488

SCHEMBL30459488

[2H]N1CCC[C@@H]1c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
NOS3 P29474 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL433220 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL29450150 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL166716 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL3503155 0.83 CHRNB2 (0.53) CA1CHRNB2CHRNA7CHRNA4KMT2A
Hydrochloric Acid SCHEMBL450686 0.81 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4KMT2AHTR2A
Hydrochloric Acid SCHEMBL450685 0.81 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4KMT2AHTR2A
SCHEMBL433482 0.78 MEN1 (0.54) CHRNB2CHRNA7CHRNA4KMT2ASMN1; SMN2
SCHEMBL29891721 0.78 CHRNB2 (0.41) CA1CHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL21523837 0.77 CHRNB2 (0.48) CA1CHRNB2CHRNA4TAAR1HTR2A
SCHEMBL432589 0.77 CA1 (0.39) CA1CHRNB2CHRNA7CHRNA4KMT2A

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO claimed