SCHEMBL29951815

SCHEMBL29951815

CN(Cc1ccc(B(O)O)cc1)Cc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.66
CHRNA4 P43681 2/20 0.66
MAPK1 P28482 1/20 0.45
CHRNA7 P36544 1/20 0.45
ALDH1A1 P00352 2/20 0.45
RIPK1 Q13546 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
LMNA P02545 2/20 0.43
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL30093157 0.87 CHRNB2 (0.79) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL29955815 0.85 CHRNB2 (0.62) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL10028665 0.83 CHRNB2 (0.85) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL29954574 0.82 LPL (0.47) CHRNB2CHRNA4KDM4EACHEMAOB
SCHEMBL12663150 0.82 LPL (0.50) ALDH1A1KDM4ELMNAACHEMAOB
SCHEMBL12195600 0.81 CHRNB2 (0.69) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL6674571 0.80 CHRNB2 (1.00) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL31044635 0.80 CHRNB2 (1.00) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL3239914 0.80 CHRNB2 (0.67) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1
SCHEMBL29954523 0.79 CHRNB2 (0.58) CHRNB2CHRNA4MAPK1CHRNA7ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed