SCHEMBL30165831

SCHEMBL30165831

O=C1N(C2CCCC2)CCN1C1CCCN(c2cncc(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.49
▸ CHRNA4 P43681 5/20 0.49
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ CHRNB4 P30926 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ BTK Q06187 4/20 0.38
▸ PDE4A P27815 1/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ ADAMTS5 Q9UNA0 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28958043 0.84 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL30160692 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL30160980 0.78 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5112706 0.77 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5114322 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5406790 0.76 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL6626222 0.75 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL5111871 0.74 KCNH2 (0.45) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL3579577 0.73 CHRNB4 (0.55) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4
SCHEMBL6625740 0.71 CHRNB4 (0.49) CHRNB2CHRNA4CHRNA1CHRNA7CHRNB4

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
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 — — CN disclosed
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