SCHEMBL20207064

SCHEMBL20207064

C=C(C)c1c(OCC2CC2)cccc1[C@H](C)N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
MCHR1 Q99705 3/20 0.37
HTR2C P28335 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
ACACB O00763 3/20 0.34
ACACA Q13085 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL18374073 0.78 RIPK1 (0.42) RIPK1MCHR1HTR2CIRAK4PDE4A
Hydrochloric Acid SCHEMBL20188156 0.77 RIPK1 (0.41) RIPK1MCHR1HTR2CPDE4APDE4B
Hydrochloric Acid SCHEMBL20188155 0.77 RIPK1 (0.41) RIPK1MCHR1HTR2CPDE4APDE4B
SCHEMBL20376081 0.76 RIPK1 (0.40) RIPK1MCHR1HTR2CNFKB1NFKB2
SCHEMBL20207066 0.76 RIPK1 (0.40) RIPK1NFKB1NFKB2RELAPDE4A
SCHEMBL20376082 0.73 MRGPRX1 (0.38) RIPK1NFKB1NFKB2RELAPDE4A
SCHEMBL22479875 0.70 RIPK1 (0.53) RIPK1HTR2C
SCHEMBL21325323 0.69 RIPK1 (0.44) RIPK1MCHR1HTR2CPDE4APDE4B
SCHEMBL4516687 0.68 MAOB (0.55) RIPK1NFKB1NFKB2RELAPDE4A
SCHEMBL13936012 0.68 NFKB1 (0.45) RIPK1ACACBACACANFKB1NFKB2

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
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed