SCHEMBL23231374

SCHEMBL23231374

C[C@H]1CC2CN(C(=O)OC(C)(C)C)CC1N2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.48
▸ CHRNB2 P17787 8/20 0.44
▸ CHRNA3 P32297 8/20 0.44
▸ CHRNA4 P43681 8/20 0.44
▸ CHRNB3 Q05901 8/20 0.44
▸ CHRNA6 Q15825 8/20 0.44
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL29344011 1.00 NR1H2 (0.48) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL1979623 0.87 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL994561 0.87 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25409415 0.87 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23906938 0.82 NR1H2 (0.51) NR1H2USP2SMN1; SMN2KDM4EDDB1
SCHEMBL15313304 0.81 NR1H2 (0.53) NR1H2USP2SMN1; SMN2KDM4EDDB1
SCHEMBL24884312 0.78 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22169156 0.78 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL400513 0.78 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL608991 0.78 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3

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-2021071843-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2021-04-15 — — WO disclosed
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