SCHEMBL6015044

SCHEMBL6015044

CCC(C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1)N(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
F2 P00734 2/20 0.34
ALDH1A1 P00352 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3450748 0.92 F10 (0.44) F10F2
SCHEMBL3448881 0.86 F10 (0.42) F10F2
SCHEMBL6015025 0.82 F10 (0.51) F10F2
SCHEMBL3450741 0.79 F10 (0.44) F10F2
SCHEMBL3452047 0.79 F10 (0.43) F10F2
SCHEMBL3448749 0.79 F10 (0.41) F10F2
SCHEMBL3448870 0.77 F10 (0.42) F10F2
SCHEMBL3449377 0.77 F10 (0.46) F10F2
SCHEMBL6015040 0.76 F10 (0.45) F10F2
SCHEMBL6015054 0.76 F10 (0.44) F10F2

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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed