SCHEMBL29956900

SCHEMBL29956900

OB(O)c1ccccc1COCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
LIPE Q05469 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRC P12931 1/20 0.36
CXCR4 P61073 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 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
SCHEMBL29955450 0.85 HTR2A (0.39) CHRNB2CHRNA4LIPGDRD2DRD4
SCHEMBL29951134 0.80 HTR2C (0.36) LIPE
SCHEMBL14394527 0.80 CHRNB2 (0.45) CHRNB2CHRNA4PRMT5WDR77CHRNB4
SCHEMBL4919386 0.78 KDM4E (0.42) PRMT5WDR77LIPGLIPENPSR1
SCHEMBL29958603 0.78 KDM4E (0.42) PRMT5WDR77LIPGLIPENPSR1
SCHEMBL14261316 0.76 CHRNB2 (0.42) CHRNB2CHRNA4PRMT5WDR77CHRNB4
SCHEMBL29957281 0.75 LIPE (0.50) LIPESRCCNR1ACHECNR2
SCHEMBL29952834 0.73 LIPG (0.52) LIPGLIPENPSR1
SCHEMBL12544470 0.73 LIPG (0.52) LIPGLIPENPSR1
SCHEMBL29953997 0.73 LIPG (0.41) LIPGDRD4LIPE

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