SCHEMBL6014963

SCHEMBL6014963

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.51
F2 P00734 3/20 0.51
CCR1 P32246 2/20 0.39
CNR2 P34972 4/20 0.36
VNN1 O95497 4/20 0.34
SMYD3 Q9H7B4 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CCR5 P51681 2/20 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
SCHEMBL3451230 0.95 F10 (0.49) F10F2CCR1CNR2VNN1
SCHEMBL6015017 0.95 F10 (0.47) F10F2CCR1CNR2VNN1
SCHEMBL3451241 0.92 F10 (0.47) F10F2CCR1CNR2VNN1
SCHEMBL3449100 0.92 F10 (0.47) F10F2CCR1CNR2VNN1
SCHEMBL6015019 0.89 F10 (0.53) F10F2CCR1
SCHEMBL6015095 0.88 F10 (0.52) F10F2SMYD3JAK2JAK1
SCHEMBL6015113 0.86 F10 (0.52) F10F2CCR1SMYD3
SCHEMBL6015111 0.86 F10 (0.52) F10F2CCR1SMYD3
SCHEMBL3448607 0.85 F10 (0.43) F10F2CCR1CNR2VNN1
SCHEMBL3449184 0.85 F10 (0.49) 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