SCHEMBL6014990

SCHEMBL6014990

CSCC[C@@H](NC(=O)O)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPID Q08752 1/20 0.38
CCR1 P32246 1/20 0.37
UBE2N P61088 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RCE1 Q9Y256 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CCKBR P32239 1/20 0.35
GFER P55789 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3449576 0.84 CCR1 (0.41) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL3448753 0.83
SCHEMBL6015148 0.83 UBE2N (0.41) NPC1KMT2AALDH1A1KDM4EMEN1
SCHEMBL6015137 0.83 KMT2A (0.46) KMT2AALDH1A1KDM4EMEN1HSD17B10
SCHEMBL6015099 0.80 CHRM1 (0.41) KMT2AALDH1A1KDM4EMEN1HSD17B10
SCHEMBL6015041 0.80 CCR1 (0.38) KMT2AALDH1A1CCR1LMNA
SCHEMBL3448463 0.80
SCHEMBL3450745 0.79 CCR1 (0.37) KMT2AMEN1CCR1LMNA
SCHEMBL6015058 0.79 CCR1 (0.33) CCR1
SCHEMBL3449382 0.78

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