SCHEMBL9536097

SCHEMBL9536097

CCOCCn1c(NC2CCN(CCN)CC2)nc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
HRH1 P35367 8/20 0.44
KCNH2 Q12809 6/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SSTR5 P35346 2/20 0.39
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

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
SCHEMBL9535360 0.90 HRH1 (0.54) SLC6A9HRH1KCNH2MAPTOPRM1
SCHEMBL9535868 0.89 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
Oxalic Acid SCHEMBL9539814 0.89 HRH1 (0.47) SLC6A9HRH1KCNH2MAPTKDM4E
Oxalic Acid SCHEMBL9539822 0.89 HRH1 (0.47) SLC6A9HRH1KCNH2MAPTKDM4E
Hydrochloric Acid SCHEMBL10384124 0.88 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL10382570 0.88 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL10383142 0.87 SLC6A9 (0.45) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL9537031 0.87 SLC6A9 (0.42) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL9536586 0.87 SLC6A9 (0.41) SLC6A9HRH1KCNH2MAPTKDM4E
Hydrochloric Acid SCHEMBL10384095 0.86 KCNH2 (0.44) SLC6A9HRH1KCNH2MAPTOPRM1

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