SCHEMBL22787134

SCHEMBL22787134

O=CCCCOc1cnc2c(n1)CCCC2=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL22787205 0.80
SCHEMBL22787128 0.80 LTB4R (0.38) HRH3
SCHEMBL22773524 0.77 LTB4R (0.37) HRH3
SCHEMBL22787207 0.73 MAOB (0.39) HRH3
SCHEMBL19152982 0.68 TSHR (0.40) HRH3
SCHEMBL29525697 0.66 HTT (0.36)
SCHEMBL30646095 0.66 GRM5 (0.42)
SCHEMBL22773696 0.66 HTT (0.36)
SCHEMBL18238059 0.63 TSHR (0.34) HRH3
SCHEMBL5217914 0.62 DRD2 (0.50)

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
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 WO disclosed