SCHEMBL6015095

SCHEMBL6015095

Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](C)NC(=O)O)CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.52
F2 P00734 3/20 0.52
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
PDE9A O76083 5/20 0.34
MBOAT4 Q96T53 3/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE5A O76074 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE10A Q9Y233 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33

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
SCHEMBL6015019 0.90 F10 (0.53) F10F2
SCHEMBL6014963 0.88 F10 (0.51) F10F2SMYD3JAK2JAK1
SCHEMBL6015027 0.87 F10 (0.51) F10F2
SCHEMBL6015032 0.87 F10 (0.51) F10F2
SCHEMBL6015113 0.87 F10 (0.52) F10F2SMYD3
SCHEMBL6015111 0.87 F10 (0.52) F10F2SMYD3
SCHEMBL3450295 0.86 F10 (0.52) F10F2
SCHEMBL6014942 0.86 F10 (0.49) F10F2PDE9ASMYD3PDE7A
SCHEMBL3451230 0.86 F10 (0.49) F10F2SMYD3
SCHEMBL6015069 0.85 F10 (0.51) F10F2SMYD3

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