SCHEMBL7219548

SCHEMBL7219548

CN=C(N)c1ccc2c(c1)nc(COc1ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc1)n2C(CC1CCC(C(=O)OC)CC1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.43
F10 P00742 10/20 0.42
GPR119 Q8TDV5 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL6186033 0.85 F10 (0.60) CHEK2F10
SCHEMBL6190594 0.80 F10 (0.60) CHEK2F10
SCHEMBL6189276 0.77 F10 (0.71) F10
SCHEMBL6189265 0.77 F10 (0.52) CHEK2F10
SCHEMBL6186020 0.75 F10 (0.46) CHEK2F10GPR119
SCHEMBL6190591 0.75 CHEK2 (0.48) CHEK2F10
SCHEMBL6189272 0.74 F10 (0.57) CHEK2F10
SCHEMBL6188232 0.74 F10 (0.60) CHEK2F10
SCHEMBL6192371 0.73 GPR119 (0.48) CHEK2F10GPR119
SCHEMBL6192378 0.72 F10 (0.55) CHEK2F10GPR119

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
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed