SCHEMBL29966735

SCHEMBL29966735

CC(C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.35
KDM1A O60341 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIA2 P42262 2/20 0.32
KCNH2 Q12809 2/20 0.32
SPR P35270 3/20 0.32
RCOR1 Q9UKL0 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL18921280 1.00 RIPK1 (0.35) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL18921462 1.00 RIPK1 (0.35) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL18921282 1.00 RIPK1 (0.35) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL20580288 0.89 RIPK1 (0.36) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL22210975 0.86 RIPK1 (0.34) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL20580735 0.86 RIPK1 (0.34) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL20580091 0.83 RIPK1 (0.33) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL22210971 0.83 RIPK1 (0.33) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL22210918 0.83 RIPK1 (0.33) RIPK1KDM1AMAOAMAOBGRIN1
SCHEMBL22210959 0.83 RIPK1 (0.38) RIPK1

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-108602809-B Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) 戴纳立制药公司 2022-09-30 CN disclosed