SCHEMBL9535014

SCHEMBL9535014

CCOCCn1c(CC2CCN(Cc3ccccc3)CC2)nc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.55
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CCR3 P51677 1/20 0.44
HRH1 P35367 4/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL9536318 0.88 SLC6A9 (0.45) SLC6A9LMNASMN1; SMN2KDM4ECCR3
SCHEMBL9535554 0.87 SLC6A9 (0.52) SLC6A9LMNASMN1; SMN2KDM4EHRH1
SCHEMBL9537927 0.86 LMNA (0.55) SLC6A9LMNASMN1; SMN2KDM4ECCR3
SCHEMBL9538036 0.85 CCR3 (0.48) SLC6A9LMNASMN1; SMN2KDM4ECCR3
SCHEMBL9539173 0.85 SLC6A9 (0.49) SLC6A9LMNASMN1; SMN2KDM4EHRH1
SCHEMBL9635884 0.85 SLC6A9 (0.64) SLC6A9LMNAMEN1TSHRKMT2A
Oxalic Acid SCHEMBL9535426 0.83 SLC6A9 (0.49) SLC6A9LMNASMN1; SMN2KDM4EHRH1
Oxalic Acid SCHEMBL9535422 0.83 SLC6A9 (0.49) SLC6A9LMNASMN1; SMN2KDM4EHRH1
Oxalic Acid SCHEMBL9538798 0.83 SLC6A9 (0.47) SLC6A9LMNASMN1; SMN2KDM4EHRH1
Oxalic Acid SCHEMBL9538801 0.83 SLC6A9 (0.47) SLC6A9LMNASMN1; SMN2KDM4EHRH1

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed