SCHEMBL6015037

SCHEMBL6015037

Cc1cn2c(n1)CN(C1CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
GPR119 Q8TDV5 1/20 0.34
CNR2 P34972 3/20 0.33
F10 P00742 3/20 0.32
F2 P00734 1/20 0.32
VNN1 O95497 3/20 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
SCHEMBL3448615 0.92 CCR1 (0.33) CCR1GPR119CNR2F10F2
SCHEMBL3448614 0.85 GPR119 (0.36) GPR119F10F2
SCHEMBL3449262 0.85 CCR1 (0.42) CCR1F10F2
SCHEMBL947287 0.80 GPR119 (0.53) GPR119
SCHEMBL3452128 0.77 F10 (0.45) CCR1CNR2F10F2
SCHEMBL6014963 0.75 F10 (0.51) CCR1CNR2F10F2VNN1
SCHEMBL3449437 0.74 CCR1 (0.38) CCR1CNR2VNN1
SCHEMBL6014992 0.74 CCR1 (0.42) CCR1CNR2VNN1
SCHEMBL6015018 0.72 CCR1 (0.41) CCR1CNR2VNN1
SCHEMBL6015101 0.72 CCR1 (0.42) CCR1CNR2F10F2

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