SCHEMBL6015076

SCHEMBL6015076

Cc1ncc2n1C(=O)N(CCC1CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
F2 P00734 3/20 0.42
CCR1 P32246 2/20 0.36
CNR2 P34972 3/20 0.35
FAAH O00519 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MBOAT4 Q96T53 4/20 0.33
RAB9A P51151 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
NAMPT P43490 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
SCHEMBL3448607 0.92 F10 (0.43) F10F2CCR1CNR2FAAH
SCHEMBL3448490 0.87 F10 (0.46) F10F2CCR1
SCHEMBL6014963 0.84 F10 (0.51) F10F2CCR1CNR2
SCHEMBL3449035 0.84 F10 (0.38) F10F2FAAHKDM4EALDH1A1
SCHEMBL3449738 0.83 F10 (0.35) F10F2CCR1CNR2FAAH
SCHEMBL6015017 0.82 F10 (0.47) F10F2CCR1CNR2
SCHEMBL3451230 0.80 F10 (0.49) F10F2CCR1CNR2
SCHEMBL3448422 0.80 F10 (0.46) F10F2CCR1
SCHEMBL13123323 0.80 F10 (0.39) F10F2CCR1
SCHEMBL14541508 0.79 F10 (0.38) 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