SCHEMBL9535303

SCHEMBL9535303

CCOCCn1c(NC2CCN(CC(=O)O)CC2)nc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
HRH1 P35367 7/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
SCN9A Q15858 1/20 0.40
PDE4B Q07343 1/20 0.39
NOS2 P35228 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
Oxalic Acid SCHEMBL10383155 0.97 SLC6A9 (0.41) SLC6A9HRH1MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9539814 0.92 HRH1 (0.47) SLC6A9HRH1MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9539822 0.92 HRH1 (0.47) SLC6A9HRH1MAPTKDM4EOPRM1
SCHEMBL9535449 0.91 HRH1 (0.47) SLC6A9HRH1MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9535612 0.91 HRH1 (0.46) SLC6A9HRH1MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9535618 0.91 HRH1 (0.46) SLC6A9HRH1MAPTKDM4EOPRM1
SCHEMBL9535360 0.88 HRH1 (0.54) SLC6A9HRH1MAPTOPRM1OPRD1
Oxalic Acid SCHEMBL9538445 0.88 HRH1 (0.44) SLC6A9HRH1MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9538448 0.88 HRH1 (0.44) SLC6A9HRH1MAPTKDM4EOPRM1
Oxalic Acid SCHEMBL9536963 0.87 SLC6A9 (0.41) SLC6A9HRH1MAPTKDM4EOPRM1

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