SCHEMBL9387166

SCHEMBL9387166

CCOC(=O)c1ccc(OCC2CN(Cc3ccccc3)CCN2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CHRNB2 P17787 2/20 0.54
CHRNA5 P30532 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
PRMT1 Q99873 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL9386461 0.81 LTA4H (0.67) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL4972736 0.77 LMNA (0.57) LMNAMAPK1ALDH1A1TSHRPRMT1
SCHEMBL14592716 0.77 CHEK2 (0.54) LMNAMAPK1ALDH1A1TSHRPRMT1
SCHEMBL9384519 0.74 HRH3 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4L3MBTL1
Hydrochloric Acid SCHEMBL9382050 0.74 DRD4 (0.55) LMNAMAPK1DRD2DRD4
SCHEMBL9209237 0.74 LMNA (0.55) LMNAMAPK1PKMALDH1A1TSHR
Hydrochloric Acid SCHEMBL10900956 0.74 MAPK1 (0.67) LMNAMAPK1ALDH1A1TSHRPRMT1
SCHEMBL85313 0.74 KCNH2 (0.46) LMNACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL9582505 0.73 SIGMAR1 (0.51) LMNADRD4HRH2
SCHEMBL9581725 0.73 L3MBTL1 (0.55) ALDH1A1L3MBTL1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398426-B1 Antirhinoviral (thio)morpholinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA NV (BE) 1994-03-09 EP disclosed
US-5070090-A SUSTAINED RELEASE FROM CYCLODEXTRIN INCLUSION COMPOUND JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-03 US disclosed
EP-0398426-A1 Antirhinoviral (thio)morpholinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed