SCHEMBL9739552

SCHEMBL9739552

COc1ccc(OCCCN2CCCC(COS(=O)(=O)c3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.57
CHRNA4 P43681 4/20 0.57
CHRNB4 P30926 2/20 0.57
CHRNA3 P32297 2/20 0.57
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
HRH3 Q9Y5N1 7/20 0.53
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
MEN1 O00255 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL9208504 0.94 HRH2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL9739220 0.92 HRH3 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL9740303 0.91 HRH3 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL9205156 0.87 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL9211609 0.86 KDM4E (0.55) CHRNB2CHRNA4CHRNB4CHRNA3HRH3
SCHEMBL9205099 0.85 HRH3 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3HRH3
SCHEMBL9740178 0.83 HRH3 (0.48) POLBMAPTHRH3KMT2AALDH1A1
SCHEMBL9739559 0.80 POLB (0.46) POLBMAPTHRH3ALDH1A1HRH2
SCHEMBL9208592 0.80 HTR1A (0.50)
SCHEMBL9210505 0.79 HRH3 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3HRH3

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed