SCHEMBL5074398

SCHEMBL5074398

O=C(OC1CCCNC1)OC1CC2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A1 P30531 2/20 0.32
TSHR P16473 2/20 0.32
SLC6A11 P48066 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
P2RX7 Q99572 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5076190 0.83 KDM4E (0.36) LMNAKDM4E
SCHEMBL11214210 0.83 EPHX1 (0.39) LMNAKDM4ETSHRSMN1; SMN2MAPT
SCHEMBL2137300 0.80 LMNA (0.40) LMNAKDM4ECHRNB2CHRNA4SLC6A1
SCHEMBL4402348 0.79 KDM4E (0.47) LMNAKDM4EKMT2AATM
SCHEMBL14449006 0.79 KDM4E (0.47) LMNAKDM4EKMT2AATM
SCHEMBL5076237 0.75 KDM4E (0.34) LMNAKDM4E
SCHEMBL5182162 0.73 KDM4E (0.42) LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL2137771 0.73 ADRA2A (0.38) LMNAKDM4ECHRNB2CHRNA4SLC6A1
Hydrochloric Acid SCHEMBL10868234 0.71 SLC6A1 (0.40) LMNAKDM4ECHRNB2CHRNA4SLC6A1
SCHEMBL9093664 0.71 KDM4E (0.38) LMNAKDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed