SCHEMBL6015032

SCHEMBL6015032

Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(CC(C)C)NC(=O)O)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.51
F2 P00734 3/20 0.51
CCR1 P32246 2/20 0.39
CTSK P43235 5/20 0.39
CTSL P07711 4/20 0.39
CTSS P25774 3/20 0.39
CTSB P07858 2/20 0.39
CYP3A4 P08684 1/20 0.38
CALCRL Q16602 1/20 0.38
CCKBR P32239 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CACNA1B Q00975 1/20 0.36
MAPK1 P28482 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 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
SCHEMBL6015027 1.00 F10 (0.51) F10F2CCR1CTSKCTSL
SCHEMBL6015111 0.90 F10 (0.52) F10F2CCR1
SCHEMBL6015113 0.90 F10 (0.52) F10F2CCR1
SCHEMBL3447642 0.89 F10 (0.47) F10F2CCR1CTSKCTSL
SCHEMBL6015069 0.89 F10 (0.51) F10F2CCR1CYP3A4CALCRL
SCHEMBL6015075 0.89 F10 (0.51) F10F2CCR1CYP3A4CALCRL
SCHEMBL6015095 0.87 F10 (0.52) F10F2
SCHEMBL6015007 0.87 F10 (0.49) F10F2CCR1CCKBR
SCHEMBL6015001 0.87 F10 (0.49) F10F2CCR1CCKBR
SCHEMBL6015147 0.86 F10 (0.49) F10F2KDM4EALDH1A1HSD17B10

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