SCHEMBL23900293

SCHEMBL23900293

O=C(COc1cc(OCC(F)(F)F)[nH]c(=O)n1)NC12CC3CCC1CCC(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPN13 Q12923 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
PDE2A O00408 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL23900307 0.88 ACACB (0.31)
SCHEMBL23900295 0.87 PDE3B (0.34) PDE2APDE3BPDE3AP2RY12
SCHEMBL23900309 0.86 PTPRC (0.44) PTPRCPTPN1PTPN11PTPN13PTPN22
SCHEMBL23900508 0.83 PDE2A (0.33) PDE2APDE3BPDE3AP2RY12
SCHEMBL23900297 0.82 ALDH1A1 (0.30)
SCHEMBL25138463 0.77 FAAH (0.34) CNR2
SCHEMBL23900294 0.76 ALDH1A1 (0.42) PTPRCPTPN1PTPN11PTPN13PTPN22
SCHEMBL23900452 0.76 ADORA2A (0.36) PDE2APDE3BPDE3AP2RY12
SCHEMBL23884375 0.73 PTPRC (0.46) PTPRCPTPN1PTPN11PTPN13PTPN22
SCHEMBL23900296 0.73 ALDH1A1 (0.45) PTPRCPTPN1PTPN11PTPN13PTPN22

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-2021203048-A1 NOVEL 2-PYRIMIDONE ANALOGS AS POTENT ANTIVIRAL AGENTS AGAINST ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed