SCHEMBL6015061

SCHEMBL6015061

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@H](NC(=O)O)C3CCCCC3)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.42
F2 P00734 2/20 0.35
CCR1 P32246 1/20 0.35
CHRM3 P20309 3/20 0.34
CTSS P25774 5/20 0.34
CTSK P43235 5/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
ENPP2 Q13822 4/20 0.33
TP53 P04637 1/20 0.31
TACR2 P21452 1/20 0.31
TACR3 P29371 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
SCHEMBL3448981 0.88 F10 (0.40) F10F2CTSL
SCHEMBL3449605 0.85 F10 (0.45) F10F2CCR1
SCHEMBL6014942 0.84 F10 (0.49) F10F2CCR1CHRM3CTSS
SCHEMBL3449086 0.84 F10 (0.46) F10F2CCR1
SCHEMBL3448658 0.84 F10 (0.41) F10F2CTSL
SCHEMBL3451025 0.83 F10 (0.40) F10F2CHRM3
SCHEMBL6015040 0.82 F10 (0.45) F10F2CCR1
SCHEMBL3448695 0.81 F10 (0.40) F10F2ENPP2
SCHEMBL6015054 0.81 F10 (0.44) F10F2CCR1
SCHEMBL3451874 0.80 F10 (0.47) F10F2CCR1

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