SCHEMBL9535554

SCHEMBL9535554

CCOCCn1c(CC2CCN(CCN)CC2)nc2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.52
HRH1 P35367 8/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9539173 0.87 SLC6A9 (0.49) SLC6A9HRH1KDM4ELMNASMN1; SMN2
SCHEMBL9535014 0.87 SLC6A9 (0.55) SLC6A9HRH1KDM4ELMNASMN1; SMN2
SCHEMBL9635911 0.86 SLC6A9 (0.68) SLC6A9HRH1KDM4ESMN1; SMN2MEN1
SCHEMBL9535297 0.86 SLC6A9 (0.47) SLC6A9HRH1KDM4ELMNASMN1; SMN2
SCHEMBL9535215 0.85 SLC6A9 (0.48) SLC6A9HRH1KDM4ELMNASMN1; SMN2
Oxalic Acid SCHEMBL9535422 0.85 SLC6A9 (0.49) SLC6A9HRH1KDM4ELMNASMN1; SMN2
Oxalic Acid SCHEMBL9535426 0.85 SLC6A9 (0.49) SLC6A9HRH1KDM4ELMNASMN1; SMN2
Fumaric Acid SCHEMBL10382780 0.84 SLC6A9 (0.49) SLC6A9HRH1KDM4ELMNASMN1; SMN2
SCHEMBL9535194 0.84 SLC6A9 (0.49) SLC6A9HRH1KDM4ELMNASMN1; SMN2
Oxalic Acid SCHEMBL9535399 0.82 SLC6A9 (0.47) SLC6A9HRH1KDM4ELMNASMN1; SMN2

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-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
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed