SCHEMBL28167652

SCHEMBL28167652

O=C(N1CCCC1c1cccc(F)c1)N1CCCC1c1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.73
SCD5 Q86SK9 2/20 0.52
TSHR P16473 1/20 0.49
TACR1 P25103 2/20 0.48
OPRK1 P41145 4/20 0.46
OPRM1 P35372 3/20 0.46
OPRD1 P41143 2/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
GRM5 P41594 3/20 0.45

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
SCHEMBL6246105 0.85 RIPK1 (0.66) RIPK1SCD5TSHRHSP90AA1HSP90AB1
SCHEMBL28168147 0.83 HSP90AA1 (0.56) RIPK1HSP90AA1HSP90AB1
SCHEMBL469686 0.83 RIPK1 (0.73) RIPK1SCD5TSHROPRK1JAK2
SCHEMBL17067870 0.83 RIPK1 (0.73) RIPK1SCD5TSHROPRK1JAK2
SCHEMBL17067869 0.83 RIPK1 (0.73) RIPK1SCD5TSHROPRK1JAK2
SCHEMBL17881986 0.82 RIPK1 (0.80) RIPK1SCD5TSHROPRK1OPRM1
SCHEMBL19500978 0.82 RIPK1 (0.65) RIPK1SCD5TSHRTACR1OPRK1
SCHEMBL19500979 0.82 RIPK1 (0.65) RIPK1SCD5TSHRTACR1OPRK1
SCHEMBL28149188 0.81 TRPA1 (0.53) RIPK1SCD5TACR1
SCHEMBL17881903 0.81 RIPK1 (0.60) RIPK1SCD5TSHROPRK1OPRM1

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-107108492-A Inhibitor of cellular necrosis 北京生命科学研究所 2017-08-29 CN disclosed