SCHEMBL21722669

SCHEMBL21722669

CC(C)N1CC2CCC(C1)N2C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20008986 0.83 SMN1; SMN2 (0.37) HRH3KCNH2CYP2D6
SCHEMBL18375130 0.83 SMN1; SMN2 (0.37) HRH3KCNH2CYP2D6
SCHEMBL15196701 0.82 ALDH1A1 (0.42) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL20009059 0.80 GRM5 (0.35) HRH3KCNH2CYP2D6MAPT
SCHEMBL7851975 0.80 HRH3 (0.41) HRH3MAPT
SCHEMBL26203667 0.80 ALDH1A1 (0.32) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL20009056 0.79 HRH3 (0.37) HRH3KCNH2CYP2D6
SCHEMBL20682344 0.79 TSHR (0.38) KCNH2MAPT
SCHEMBL26203664 0.79 DPP4 (0.37) ALDH1A1
SCHEMBL20314925 0.77 JAK3 (0.39)

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-3836917-A1 NOVEL SULFONAMIDEUREA COMPOUNDS Inflazome Limited (IE) 2021-06-23 EP disclosed
WO-2020035464-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed