SCHEMBL9535449

SCHEMBL9535449

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.47
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
NOS2 P35228 1/20 0.41
SLC6A9 P48067 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CNR2 P34972 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
Oxalic Acid SCHEMBL9535618 0.97 HRH1 (0.46) HRH1LMNAMAPTKDM4EMAPK1
Oxalic Acid SCHEMBL9535612 0.97 HRH1 (0.46) HRH1LMNAMAPTKDM4EMAPK1
SCHEMBL9535303 0.91 SLC6A9 (0.44) HRH1MAPTKDM4ENOS2SLC6A9
Oxalic Acid SCHEMBL9539822 0.88 HRH1 (0.47) HRH1MAPTKDM4ESLC6A9OPRM1
SCHEMBL9536529 0.88 NOS2 (0.55) LMNAMAPTKDM4EMAPK1NOS2
Oxalic Acid SCHEMBL9539814 0.88 HRH1 (0.47) HRH1MAPTKDM4ESLC6A9OPRM1
Oxalic Acid SCHEMBL10383155 0.88 SLC6A9 (0.41) HRH1MAPTKDM4ENOS2SLC6A9
Hydrochloric Acid SCHEMBL9539255 0.88 NOS2 (0.54) LMNAMAPTKDM4EMAPK1NOS2
SCHEMBL9535360 0.86 HRH1 (0.54) HRH1LMNAMAPTSLC6A9HTT
SCHEMBL9535868 0.85 SLC6A9 (0.44) HRH1MAPTKDM4ENOS2SLC6A9

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