SCHEMBL29952597

SCHEMBL29952597

CN(Cc1ccc(B(O)O)cc1)C1CCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.68
HRH4 Q9H3N8 1/20 0.68
LTA4H P09960 2/20 0.47
PARP1 P09874 2/20 0.46
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
SLC18A3 Q16572 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STAT3 P40763 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ABCB11 O95342 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3979242 1.00 HRH3 (0.68) HRH3HRH4LTA4HPARP1LPL
SCHEMBL31082165 0.92 HRH3 (0.54) HRH3HRH4LTA4HPARP1LPL
SCHEMBL24495214 0.86 HRH3 (0.49) HRH3HRH4LTA4HPARP1LPL
SCHEMBL29953942 0.86 HRH3 (0.49) HRH3HRH4LTA4HPARP1LPL
SCHEMBL29956663 0.83 KDM4E (0.53) HRH3HRH4LTA4HLPLLIPG
SCHEMBL29956949 0.82 HRH3 (0.53) HRH3HRH4LTA4HPARP1LPL
SCHEMBL29951372 0.82 SIGMAR1 (0.50) HRH3HRH4LTA4HLPLLIPG
SCHEMBL13649128 0.81 HRH3 (0.74) HRH3HRH4LTA4HPARP1SLC18A3
SCHEMBL29956296 0.81 LTA4H (0.47) HRH3HRH4LTA4HLPLLIPG
SCHEMBL12082363 0.80 HRH3 (0.77) HRH3HRH4LTA4HPARP1SLC18A3

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