SCHEMBL9535360

SCHEMBL9535360

CCOCCn1c(NC2CCN(CCO)CC2)nc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.54
SLC6A9 P48067 1/20 0.45
KCNH2 Q12809 6/20 0.41
MAPT P10636 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
MEN1 O00255 1/20 0.39
MLNR O43193 1/20 0.39
CACNA1F O60840 1/20 0.39
EED O75530 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
HLA-A P04439 1/20 0.39
ERBB2 P04626 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
LCK P06239 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 SCHEMBL9539814 0.91 HRH1 (0.47) HRH1SLC6A9KCNH2MAPTOPRM1
Oxalic Acid SCHEMBL9539822 0.91 HRH1 (0.47) HRH1SLC6A9KCNH2MAPTOPRM1
SCHEMBL9536097 0.90 SLC6A9 (0.45) HRH1SLC6A9KCNH2MAPTOPRM1
SCHEMBL9535868 0.89 SLC6A9 (0.44) HRH1SLC6A9KCNH2MAPTCHRM1
Hydrochloric Acid SCHEMBL10384124 0.88 SLC6A9 (0.44) HRH1SLC6A9KCNH2MAPTCHRM1
SCHEMBL9535303 0.88 SLC6A9 (0.44) HRH1SLC6A9KCNH2MAPTOPRM1
SCHEMBL10382570 0.88 SLC6A9 (0.44) HRH1SLC6A9KCNH2MAPTOPRM1
SCHEMBL10383142 0.87 SLC6A9 (0.45) HRH1SLC6A9KCNH2MAPTOPRM1
SCHEMBL9537031 0.87 SLC6A9 (0.42) HRH1SLC6A9KCNH2MAPTSSTR5
SCHEMBL9536586 0.87 SLC6A9 (0.41) HRH1SLC6A9KCNH2MAPTOPRM1

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