SCHEMBL28629177

SCHEMBL28629177

O=CN1N=CCC1c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 12/20 0.55
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ GFER P55789 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL30166293 1.00 RIPK1 (0.55) RIPK1MAOBMAOAPDE5AGFER
SCHEMBL22638907 0.84 RIPK1 (0.51) RIPK1ALDH1A1
SCHEMBL22638823 0.84 RIPK1 (0.51) RIPK1ALDH1A1
SCHEMBL22638820 0.84 RIPK1 (0.51) RIPK1ALDH1A1
Hydrochloric Acid SCHEMBL28931982 0.83 RIPK1 (0.50) RIPK1
SCHEMBL28938984 0.82 ALDH1A1 (0.43) RIPK1MAOBMAOAALDH1A1
SCHEMBL20161261 0.81 RIPK1 (0.51) RIPK1ALDH1A1
SCHEMBL28689541 0.81 RIPK1 (0.51) RIPK1ALDH1A1
SCHEMBL20138345 0.81 RIPK1 (0.51) RIPK1ALDH1A1
Hydrochloric Acid SCHEMBL28469788 0.80 RIPK1 (0.50) RIPK1ALDH1A1

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
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 — — CN disclosed
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