SCHEMBL9536586

SCHEMBL9536586

CCOCCn1c(NC2CCN(CCNC(N)=S)CC2)nc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
HRH1 P35367 7/20 0.41
TP53 P04637 1/20 0.38
KCNH2 Q12809 3/20 0.37
MAPT P10636 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SSTR5 P35346 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.87 HRH1 (0.54) SLC6A9HRH1TP53KCNH2MAPT
SCHEMBL9536097 0.87 SLC6A9 (0.45) SLC6A9HRH1TP53KCNH2MAPT
SCHEMBL10382570 0.86 SLC6A9 (0.44) SLC6A9HRH1TP53KCNH2MAPT
Oxalic Acid SCHEMBL9539814 0.85 HRH1 (0.47) SLC6A9HRH1TP53KCNH2MAPT
Oxalic Acid SCHEMBL9539822 0.85 HRH1 (0.47) SLC6A9HRH1TP53KCNH2MAPT
SCHEMBL10382581 0.85 SLC6A9 (0.36) SLC6A9HRH1TP53KCNH2MAPT
SCHEMBL9535297 0.85 SLC6A9 (0.47) SLC6A9HRH1TP53KDM4EMEN1
SCHEMBL9535868 0.84 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
Hydrochloric Acid SCHEMBL10384124 0.83 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL9686900 0.82 SLC6A9 (0.60) SLC6A9TP53KDM4EMEN1KMT2A

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 1 patent. 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