SCHEMBL9740303

SCHEMBL9740303

COc1cccc(OCCCN2CCCC(COS(=O)(=O)c3ccccc3)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.60
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HTR2A P28223 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CCR3 P51677 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL9739220 0.93 HRH3 (0.52) HRH3KDM4EKMT2AALDH1A1CHRNB4
SCHEMBL9211609 0.91 KDM4E (0.55) HRH3KDM4EKMT2AALDH1A1CHRNB4
SCHEMBL9739552 0.91 CHRNB2 (0.57) HRH3KDM4EKMT2AALDH1A1CHRNB4
SCHEMBL9210505 0.88 HRH3 (0.57) HRH3KDM4EKMT2AALDH1A1HTR2A
SCHEMBL9205099 0.86 HRH3 (0.48) HRH3KDM4EKMT2AALDH1A1HTR2A
SCHEMBL9208504 0.85 HRH2 (0.49) HRH3KDM4EKMT2AALDH1A1CHRNB4
SCHEMBL9740308 0.81 KDM4E (0.51) HRH3KDM4EKMT2AALDH1A1CHRNB4
SCHEMBL9205156 0.78 CHRNB2 (0.54) HRH3KDM4EKMT2AALDH1A1CHRNB4
SCHEMBL9206438 0.78 HRH3 (0.64) HRH3KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9212384 0.77 ADRA1A (0.52) KDM4EKMT2AALDH1A1MEN1

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