SCHEMBL9537031

SCHEMBL9537031

CCOCCn1c(NC2CCN(CC#N)CC2)nc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
HRH1 P35367 5/20 0.41
KCNH2 Q12809 7/20 0.40
MAPT P10636 2/20 0.40
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SSTR5 P35346 2/20 0.37

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
SCHEMBL9535868 0.87 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL9535360 0.87 HRH1 (0.54) SLC6A9HRH1KCNH2MAPTSSTR5
SCHEMBL9536097 0.87 SLC6A9 (0.45) SLC6A9HRH1KCNH2MAPTKDM4E
Hydrochloric Acid SCHEMBL10384124 0.86 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
Oxalic Acid SCHEMBL9539814 0.85 HRH1 (0.47) SLC6A9HRH1KCNH2MAPTKDM4E
Oxalic Acid SCHEMBL9539822 0.85 HRH1 (0.47) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL10382570 0.84 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL9535303 0.84 SLC6A9 (0.44) SLC6A9HRH1KCNH2MAPTKDM4E
SCHEMBL10382820 0.84 SLC6A9 (0.42) SLC6A9HRH1KCNH2MAPTSSTR5
SCHEMBL10383142 0.84 SLC6A9 (0.45) SLC6A9HRH1KCNH2MAPTKDM4E

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