SCHEMBL9535868

SCHEMBL9535868

CCOCCn1c(NC2CCN(C)CC2)nc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
PDE5A O76074 1/20 0.42
KCNH2 Q12809 6/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HRH1 P35367 5/20 0.41
RET P07949 1/20 0.39
NOS2 P35228 1/20 0.39
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL10384124 0.99 SLC6A9 (0.44) SLC6A9PDE5AKCNH2MAPTKDM4E
SCHEMBL9535360 0.89 HRH1 (0.54) SLC6A9KCNH2MAPTHRH1CHRM1
SCHEMBL9536097 0.89 SLC6A9 (0.45) SLC6A9KCNH2MAPTKDM4EHRH1
SCHEMBL10383260 0.88 TP53 (0.46) SLC6A9PDE5AKCNH2MAPTKDM4E
SCHEMBL9536525 0.88 MAPT (0.42) KCNH2MAPTHRH1RETCHRM1
SCHEMBL9538395 0.88 MAPT (0.39) SLC6A9KCNH2MAPTRET
Oxalic Acid SCHEMBL9539814 0.87 HRH1 (0.47) SLC6A9KCNH2MAPTKDM4EHRH1
SCHEMBL9537031 0.87 SLC6A9 (0.42) SLC6A9KCNH2MAPTKDM4EHRH1
Oxalic Acid SCHEMBL9539822 0.87 HRH1 (0.47) SLC6A9KCNH2MAPTKDM4EHRH1
SCHEMBL9536529 0.87 NOS2 (0.55) MAPTKDM4ENOS2

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 claimed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US claimed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed