SCHEMBL28167653

SCHEMBL28167653

O=CN1CCCC1c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
TSHR P16473 1/20 0.49
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A2 O94788 2/20 0.40
SCD5 Q86SK9 1/20 0.40
OPRK1 P41145 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL30824575 1.00 RIPK1 (0.54) RIPK1TSHRJAK2NTRK1MAOA
SCHEMBL28168148 0.82 SIGMAR1 (0.44)
SCHEMBL27851907 0.81 RIPK1 (0.42) RIPK1TSHRMAOAMAOBMAPT
SCHEMBL28149189 0.81 TRPA1 (0.53) TSHRLMNAMAPT
Hydrochloric Acid SCHEMBL28938994 0.81 ALDH1A1 (0.47) RIPK1MAOAMAOBKMT2AMAPT
SCHEMBL13330544 0.80 CHRNB2 (0.55) RIPK1KMT2ALMNAMAPT
SCHEMBL2336871 0.79 RIPK1 (0.40) RIPK1TSHRMAOAMAOB
SCHEMBL28168305 0.78 DRD2 (0.48) KMT2A
SCHEMBL22754932 0.78 OPRM1 (0.41) OPRM1OPRD1
SCHEMBL20705955 0.77 ALDH1A1 (0.56) RIPK1TSHRJAK2NTRK1MAOA

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
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
CN-107108492-A Inhibitor of cellular necrosis 北京生命科学研究所 2017-08-29 CN disclosed